UCSF

ZINC36705089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 37 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) 6.12 13.43 -22.57 0 6 0 55 515.679 10
Mid Mid (pH 6-8) 6.12 15.7 -68.4 1 6 1 56 516.687 10

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