UCSF

ZINC55065451

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.54 5.89 -99.17 4 3 2 35 275.44 3
Hi High (pH 8-9.5) 0.54 3.78 -2.71 2 3 0 32 273.424 3
Mid Mid (pH 6-8) 0.54 5.6 -33.32 3 3 1 34 274.432 3

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

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