UCSF

ZINC57724225

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 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) 1.24 1.26 -46.16 1 5 -1 77 255.319 5
Lo Low (pH 4.5-6) 1.24 1.09 -17.67 2 5 0 75 256.327 5

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Rings

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