UCSF

ZINC42436810

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 1.69 3.29 -33.35 4 3 1 55 224.303 5
Mid Mid (pH 6-8) 1.69 5.32 -101.12 5 3 2 56 225.311 5

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Rings

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