UCSF

ZINC44994907

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 16 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) 0.33 1.95 -38.84 2 5 1 55 225.316 3
Mid Mid (pH 6-8) 0.33 3.18 -106.48 3 5 2 60 226.324 3
Mid Mid (pH 6-8) 0.33 1.05 -43.12 2 5 1 59 225.316 3

Activity (Go SEA)

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

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