UCSF

ZINC38225617

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 26 No

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) -3.44 -1.77 -224.47 4 14 -3 232 410.196 9
Mid Mid (pH 6-8) -3.44 -2.89 -115.27 5 14 -2 229 411.204 9
Mid Mid (pH 6-8) -3.44 -0.66 -344 3 14 -4 234 409.188 9

Activity (Go SEA)

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