UCSF

ZINC55088839

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 0.30 2.71 -54.15 5 4 1 74 284.811 6
Lo Low (pH 4.5-6) 0.30 3.01 -121.91 6 4 2 76 285.819 6

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Rings

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