UCSF

ZINC61497377

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 14 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) -2.55 -2.97 -46.14 3 5 1 76 198.246 3
Hi High (pH 8-9.5) -2.55 -3.31 -8.78 2 5 0 74 197.238 3

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

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