UCSF

ZINC19997104

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 36 No

Popular Name: BRD-A27363258-001-01-5 BRD-A27363258-001-01-5

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) 3.33 11.71 -62.72 1 8 -1 119 499.934 6 ↓
Hi High (pH 8-9.5) 4.24 9.7 -112.02 0 8 -2 122 498.926 6 ↓
Lo Low (pH 4.5-6) 3.72 12.26 -94.47 3 8 1 118 501.95 5 ↓

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

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