UCSF

ZINC00613276

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 2.52 7.64 -10.05 1 4 0 51 268.345 3
Lo Low (pH 4.5-6) 2.52 7.81 -74.5 3 4 2 53 270.361 3
Lo Low (pH 4.5-6) 2.52 7.94 -36.57 2 4 1 52 269.353 3
Lo Low (pH 4.5-6) 2.52 7.52 -33.75 2 4 1 52 269.353 3

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

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