UCSF

ZINC52547057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 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) 2.70 9.23 -117.72 3 2 2 21 236.403 7
Hi High (pH 8-9.5) 2.70 7.88 -34.48 2 2 1 16 235.395 7
Mid Mid (pH 6-8) 2.70 7.25 -39.24 2 2 1 20 235.395 7

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Rings

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