UCSF

ZINC13797165

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 27 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) -3.39 1.01 -348.5 3 15 -4 244 423.171 6
Mid Mid (pH 6-8) -3.39 -0.15 -220.97 4 15 -3 241 424.179 6
Mid Mid (pH 6-8) -3.39 -0.14 -225.3 4 15 -3 241 424.179 6
Lo Low (pH 4.5-6) -3.39 -1.3 -114.78 5 15 -2 238 425.187 6

Activity (Go SEA)

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