UCSF

ZINC39230029

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 3.90 11.51 -33.52 2 5 1 59 379.528 4
Mid Mid (pH 6-8) 3.90 11.05 -9.1 1 5 0 58 378.52 4

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