UCSF

ZINC53599017

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 18 Yes

Popular Name: BRD-A89639300-001-01-1 BRD-A89639300-001-01-1

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.95 0.97 -38.62 2 3 -1 64 251.346 1 ↓
Lo Low (pH 4.5-6) 1.95 -0.24 -4.59 3 3 0 61 252.354 1 ↓
Lo Low (pH 4.5-6) 1.95 0.48 -6.37 3 3 0 61 252.354 1 ↓

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Rings

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

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