UCSF

ZINC69078855

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 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) -0.11 5.2 -43.67 2 5 1 57 240.327 5
Hi High (pH 8-9.5) -0.11 4.68 -15.98 1 5 0 53 239.319 5

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

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