UCSF

ZINC42441996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.61 4.76 -104.5 5 4 2 65 237.347 6
Mid Mid (pH 6-8) 1.61 2.72 -34.4 4 4 1 64 236.339 6

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Rings

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