UCSF

ZINC69799166

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 14 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) 0.95 3.96 -28.2 3 3 1 44 195.286 1
Lo Low (pH 4.5-6) 0.95 4.44 -103.86 4 3 2 45 196.294 1

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

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