UCSF

ZINC08701074

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 22 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) 4.05 12.3 -39.97 1 2 1 17 295.45 6
Lo Low (pH 4.5-6) 4.05 12.58 -100.71 2 2 2 19 296.458 6

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

No pre-computed analogs available. Try a structural similarity search.