UCSF

ZINC42252085

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 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) 1.83 5.39 -40.83 2 5 1 67 293.387 9
Hi High (pH 8-9.5) 1.83 3.39 -7.39 1 5 0 66 292.379 9

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Rings

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