UCSF

ZINC43231741

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) -0.45 0 -32.69 4 5 1 69 241.359 6
Mid Mid (pH 6-8) -0.45 -0.52 -44.77 4 5 1 69 241.359 6
Lo Low (pH 4.5-6) -0.45 0.5 -116.67 5 5 2 70 242.367 6

Activity (Go SEA)

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