UCSF

ZINC39575729

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 32 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) 3.52 11.12 -14.97 0 7 0 67 446.58 6
Mid Mid (pH 6-8) 3.52 13.32 -52.29 1 7 1 68 447.588 6

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