UCSF

ZINC54836812

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) 0.68 3.26 -53.08 3 4 1 66 229.307 3
Mid Mid (pH 6-8) 0.68 2.86 -9.87 2 4 0 65 228.299 3
Lo Low (pH 4.5-6) 0.68 3.67 -90.54 4 4 2 68 230.315 3

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

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