UCSF

ZINC42459852

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.39 6.06 -34.34 1 4 1 36 211.285 6
Mid Mid (pH 6-8) 0.39 3.77 -10.2 0 4 0 34 210.277 6

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Rings

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