UCSF

ZINC40617357

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 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 1.08 -345.58 3 15 -4 244 423.171 6
Mid Mid (pH 6-8) -3.39 -0.06 -223.4 4 15 -3 241 424.179 6
Mid Mid (pH 6-8) -3.39 -0.07 -219.01 4 15 -3 241 424.179 6
Lo Low (pH 4.5-6) -3.39 -1.22 -113.38 5 15 -2 238 425.187 6

Activity (Go SEA)

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