UCSF

ZINC42252312

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 19 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) 2.47 7.79 -37.87 1 4 1 47 263.361 8
Mid Mid (pH 6-8) 2.47 5.69 -5.76 0 4 0 45 262.353 8

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Rings

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