UCSF

ZINC12531230

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 27 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) 3.41 5.8 -12.23 1 5 0 59 369.461 7
Mid Mid (pH 6-8) 3.41 8.06 -50.84 2 5 1 60 370.469 7

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