UCSF

ZINC69132543

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 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) 0.28 2.78 -46.15 3 5 1 70 236.295 1
Hi High (pH 8-9.5) 0.28 2.45 -51.53 1 5 -1 68 234.279 1
Mid Mid (pH 6-8) 0.28 2.34 -38.15 2 5 0 70 235.287 1
Mid Mid (pH 6-8) 0.28 1.44 -9.96 2 5 0 65 235.287 1
Mid Mid (pH 6-8) 0.28 3.66 -88.46 3 5 1 74 236.295 1
Mid Mid (pH 6-8) 0.28 3.79 -72.59 2 5 0 73 235.287 1

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

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