UCSF

ZINC35024485

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 No

Popular Name: LS-187188 LS-187188

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.93 -0.48 -58.22 6 10 -1 184 463.85 1 ↓
Hi High (pH 8-9.5) -1.38 0.68 -90.24 6 10 -1 188 463.85 1 ↓
Hi High (pH 8-9.5) -0.93 0.51 -141.41 5 10 -2 187 462.842 1 ↓
Hi High (pH 8-9.5) -0.64 -2.38 -104 5 10 -2 187 462.842 2 ↓
Hi High (pH 8-9.5) -1.38 0.6 -136.94 5 10 -2 187 462.842 1 ↓
Hi High (pH 8-9.5) -0.64 0.83 -169.94 5 10 -2 191 462.842 2 ↓
Hi High (pH 8-9.5) -0.64 -0.73 -228.57 4 10 -3 190 461.834 2 ↓
Mid Mid (pH 6-8) -0.64 -1.72 -135.9 5 10 -2 187 462.842 2 ↓
Mid Mid (pH 6-8) -0.64 0.28 -126.25 6 10 -1 188 463.85 2 ↓
Mid Mid (pH 6-8) -0.64 -1.08 -55.55 7 10 0 186 464.858 2 ↓
Mid Mid (pH 6-8) -1.38 -0.26 -37.35 7 10 0 186 464.858 1 ↓
Mid Mid (pH 6-8) -0.64 -3.36 -53.24 6 10 -1 184 463.85 2 ↓
Lo Low (pH 4.5-6) -0.93 -0.51 -36.04 7 10 0 186 464.858 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-8904; NCC_SUPPLIER_SAMPLE_COMMENTS : LIGHT-YELLOW POWDER NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-8904; SUPPLIER_COMMENTS: LIGHT-YELLOW POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )