UCSF

ZINC13127774

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 No

Popular Name: BRD-A54442047-001-01-9 BRD-A54442047-001-01-9

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) -0.79 9.16 -20.64 1 8 0 97 311.301 2 ↓
Hi High (pH 8-9.5) -0.60 7.18 -62.69 0 8 -1 104 310.293 2 ↓
Lo Low (pH 4.5-6) -0.61 8.99 -35.22 2 8 1 102 312.309 2 ↓

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