UCSF

ZINC54822251

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 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) 1.40 6.04 -31.24 3 3 1 42 228.319 4
Mid Mid (pH 6-8) 1.40 5.63 -9.88 2 3 0 41 227.311 4
Lo Low (pH 4.5-6) 1.40 7.44 -110.05 4 3 2 47 229.327 4
Lo Low (pH 4.5-6) 1.40 7 -42.93 3 3 1 45 228.319 4

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

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