UCSF

ZINC49517457

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 16 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) 2.45 7.62 -7.2 0 3 0 27 240.372 6
Mid Mid (pH 6-8) 2.45 8.1 -25.67 1 3 1 28 241.38 6

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