UCSF

ZINC39702527

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 24 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) 2.25 4.88 -46.5 2 6 1 55 334.44 6
Mid Mid (pH 6-8) 2.25 2.53 -11.78 1 6 0 54 333.432 6

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