UCSF

ZINC50659823

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 20 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) 2.93 3.35 -37.71 1 6 -1 86 441.15 5
Lo Low (pH 4.5-6) 2.93 3.37 -9.35 2 6 0 84 442.158 5
Lo Low (pH 4.5-6) 2.93 3.74 -37.53 3 6 1 85 443.166 5

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

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