UCSF

ZINC38799634

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 31 No

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) 0.04 2.41 -53.85 6 9 0 165 428.441 2
Hi High (pH 8-9.5) 0.04 2.63 -240.26 3 9 -3 170 425.417 2
Hi High (pH 8-9.5) 0.04 1.63 -140.55 4 9 -2 167 426.425 2
Mid Mid (pH 6-8) 0.04 3.83 -120.05 5 9 -1 168 427.433 2
Mid Mid (pH 6-8) 0.04 0.45 -55.11 5 9 -1 164 427.433 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : T-1856; NCC_SUPPLIER_SAMPLE_COMMENTS : YELLOW POWDER NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: T-1856; SUPPLIER_COMMENTS: YELLOW POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

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