UCSF

ZINC42452441

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.31 1.68 -50.69 4 4 1 68 237.323 6
Hi High (pH 8-9.5) 0.31 2 -13.01 3 4 0 67 236.315 6

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Rings

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