UCSF

ZINC05042082

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 24 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) 1.07 0.88 -43.22 3 10 -1 167 331.264 6
Mid Mid (pH 6-8) 0.62 2.55 -25.89 4 10 0 164 332.272 6

Activity (Go SEA)

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