UCSF

ZINC41651769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 No

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) 0.52 -0.24 -46.08 6 9 1 155 297.291 7
Hi High (pH 8-9.5) 0.52 -0.57 -12.43 5 9 0 153 296.283 7

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Rings

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