UCSF

ZINC37078281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.89 2.57 -90.74 5 4 2 62 240.347 7
Hi High (pH 8-9.5) 0.89 0.26 -39.35 4 4 1 60 239.339 7

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Rings

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