UCSF

ZINC45218907

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 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) 0.98 3.52 -11.37 1 6 0 79 252.347 6
Lo Low (pH 4.5-6) 0.98 4.67 -51.76 2 6 1 84 253.355 6

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

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