UCSF

ZINC31719116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 30 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) 2.39 4.63 -16.68 3 8 0 103 409.49 7
Mid Mid (pH 6-8) 2.39 4.89 -54.29 4 8 1 105 410.498 7

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