UCSF

ZINC36873424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 2.24 6.78 -41.64 3 3 1 48 249.378 7
Hi High (pH 8-9.5) 2.24 6.46 -7.64 2 3 0 46 248.37 7

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Rings

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