UCSF

ZINC42457853

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.50 7.7 -52.84 0 5 -1 76 287.339 8
Mid Mid (pH 6-8) 2.50 9.8 -86.08 1 5 0 78 288.347 8

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Rings

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