UCSF

ZINC69263101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 1.88 7.34 -39.49 2 4 1 46 235.355 7
Hi High (pH 8-9.5) 1.88 5.96 -6.39 1 4 0 41 234.347 7
Mid Mid (pH 6-8) 1.88 7.46 -105.41 3 4 2 47 236.363 7
Lo Low (pH 4.5-6) 1.88 7.44 -93.29 3 4 2 47 236.363 7

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

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