UCSF

ZINC13127626

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 Yes

Popular Name: BRD-A88129219-001-01-4 BRD-A88129219-001-01-4

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) 3.56 8.63 -13.42 1 4 0 43 298.349 1 ↓
Mid Mid (pH 6-8) 3.74 9.25 -26.1 2 4 1 48 299.357 1 ↓
Lo Low (pH 4.5-6) 3.56 9.07 -27.58 2 4 1 44 299.357 1 ↓

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