UCSF

ZINC20005475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 4.74 7.37 -44.82 3 2 1 37 250.406 8
Hi High (pH 8-9.5) 4.74 8.17 -61.43 2 2 0 40 249.398 8

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Rings

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