UCSF

ZINC38630896

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 28 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) 3.68 10.62 -45.14 2 4 1 37 384.519 8
Mid Mid (pH 6-8) 3.68 8.24 -10.49 1 4 0 36 383.511 8

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