UCSF

ZINC52576379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.18 4.91 -48.96 3 4 1 58 245.331 3
Mid Mid (pH 6-8) 1.18 4.5 -13.2 2 4 0 57 244.323 3
Lo Low (pH 4.5-6) 1.18 5.39 -91.15 4 4 2 60 246.339 3

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

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