UCSF

ZINC20054193

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 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) 0.40 3.94 -42.81 3 4 1 46 214.333 5
Mid Mid (pH 6-8) 0.40 4.18 -109.11 4 4 2 50 215.341 5
Mid Mid (pH 6-8) 0.40 1.65 -42.51 3 4 1 49 214.333 5

Activity (Go SEA)

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