UCSF

ZINC37100722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 3.72 3.56 -34.1 4 3 1 57 252.378 5
Hi High (pH 8-9.5) 3.72 4.32 -31.69 3 3 0 60 251.37 5

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Rings

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