UCSF

ZINC27650753

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 38 No

Popular Name: Reverin Reverin

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) -0.18 0.64 -71.59 5 11 -1 174 526.566 4 ↓
Hi High (pH 8-9.5) 0.10 -0.17 -123.25 4 11 -2 177 525.558 4 ↓
Hi High (pH 8-9.5) 0.74 -1.48 -127.01 4 11 -2 180 525.558 4 ↓
Hi High (pH 8-9.5) 0.10 -1.17 -59.84 5 11 -1 174 526.566 4 ↓
Hi High (pH 8-9.5) 0.55 0.31 -136.74 4 11 -2 177 525.558 4 ↓
Mid Mid (pH 6-8) 0.55 2.95 -107.62 5 11 -1 178 526.566 4 ↓
Mid Mid (pH 6-8) 0.55 5.05 -75.77 6 11 0 179 527.574 4 ↓
Mid Mid (pH 6-8) 0.10 3.56 -56.19 7 11 1 176 528.582 4 ↓
Mid Mid (pH 6-8) -0.18 2 -72.37 6 11 0 175 527.574 4 ↓
Lo Low (pH 4.5-6) 0.74 2.53 -77.31 6 11 0 182 527.574 4 ↓
Lo Low (pH 4.5-6) 0.74 2.12 -62.86 6 11 0 182 527.574 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : R2253 NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: R2253 NIH Clinical Collection via PubChem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.