UCSF

ZINC41670907

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 2.83 4.69 -50.31 4 3 1 57 275.294 4
Hi High (pH 8-9.5) 2.83 4.29 -5.72 3 3 0 55 274.286 4

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Rings

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