UCSF

ZINC37127172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 3.05 6.94 -7.07 2 4 0 44 301.777 3
Mid Mid (pH 6-8) 3.05 6.53 -31.28 3 4 1 46 302.785 3

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