UCSF

ZINC14221053

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 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) 2.03 3.94 -39.25 4 3 1 60 239.314 5
Hi High (pH 8-9.5) 2.03 2.97 -6.65 3 3 0 55 238.306 5

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Rings

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