UCSF

ZINC62965091

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 2.36 7.37 -88.4 3 3 2 24 275.44 3
Hi High (pH 8-9.5) 2.36 4.04 -2.27 1 3 0 19 273.424 3
Hi High (pH 8-9.5) 2.36 5.96 -35.46 2 3 1 20 274.432 3
Mid Mid (pH 6-8) 2.36 6.45 -37.2 2 3 1 20 274.432 3

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

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