UCSF

ZINC42459763

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) 1.42 7.23 -39.97 1 3 1 31 240.298 7
Mid Mid (pH 6-8) 1.42 4.93 -10.78 0 3 0 30 239.29 7

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Rings

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