UCSF

ZINC69094805

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 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) 1.64 6.7 -13.08 1 5 0 67 279.413 6
Lo Low (pH 4.5-6) 1.64 7.48 -46.6 2 5 1 71 280.421 6

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

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