UCSF

ZINC03655770

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 31 Yes

Popular Name: BRD-A44215630-001-01-5 BRD-A44215630-001-01-5

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) 4.41 0.95 -14.69 1 6 0 83 412.445 2 ↓
Lo Low (pH 4.5-6) 4.41 1.11 -31.17 2 6 1 84 413.453 2 ↓

Activity (Go SEA)

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