UCSF

ZINC00541517

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 Yes

Popular Name: BRD-K42674546-001-01-6 BRD-K42674546-001-01-6

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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) 1.57 6.6 -8.29 2 7 0 85 263.301 2 ↓
Mid Mid (pH 6-8) 1.75 -1.86 -38.52 3 7 1 89 264.309 1 ↓

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Rings

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