UCSF

ZINC53650424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 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) 0.03 2.52 -113.05 3 5 2 43 273.421 8
Hi High (pH 8-9.5) 0.03 -1.15 -3.41 1 5 0 37 271.405 8
Mid Mid (pH 6-8) 0.03 1.18 -35.1 2 5 1 38 272.413 8
Mid Mid (pH 6-8) 0.03 0.17 -40.08 2 5 1 42 272.413 8
Lo Low (pH 4.5-6) 0.03 2.48 -99.33 3 5 2 43 273.421 8

Activity (Go SEA)

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

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