UCSF

ZINC13125271

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 Yes

Popular Name: BRD-A23926417-001-01-1 BRD-A23926417-001-01-1

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) 2.41 10.98 -13.89 2 7 0 85 323.356 4 ↓
Mid Mid (pH 6-8) 2.59 10.6 -16.65 2 7 0 88 323.356 4 ↓
Mid Mid (pH 6-8) 2.59 10.09 -41.93 1 7 -1 86 322.348 4 ↓
Lo Low (pH 4.5-6) 2.59 10.84 -52.06 3 7 1 89 324.364 4 ↓

Activity (Go SEA)

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