UCSF

ZINC39555709

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.53 10.09 -17.83 0 6 0 54 421.52 3
Mid Mid (pH 6-8) 2.53 12.31 -48.9 1 6 1 55 422.528 3

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