UCSF

ZINC21548728

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 32 Yes

Popular Name: BRD-K50597760-001-06-6 BRD-K50597760-001-06-6

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) 3.86 8.95 -10.18 1 6 0 69 422.488 2 ↓
Hi High (pH 8-9.5) 4.32 7.18 -45.95 0 6 -1 72 421.48 2 ↓
Mid Mid (pH 6-8) 3.86 11.05 -47.09 2 6 1 70 423.496 2 ↓

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

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