UCSF

ZINC41682194

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 0.73 0.34 -13.41 2 6 0 93 273.31 7
Hi High (pH 8-9.5) 0.73 1.11 -48.94 1 6 -1 96 272.302 7

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Rings

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