UCSF

ZINC37225397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 0.73 6.32 -42.24 2 3 1 37 239.314 5
Hi High (pH 8-9.5) 0.73 5.11 -10.02 1 3 0 32 238.306 5

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Rings

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