UCSF

ZINC69236427

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 2.73 6.46 -26.24 3 3 1 42 234.367 5
Hi High (pH 8-9.5) 2.73 5.79 -7.05 2 3 0 41 233.359 5
Mid Mid (pH 6-8) 2.73 7.07 -37.72 3 3 1 45 234.367 5

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

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