UCSF

ZINC04798186

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 15 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) -0.99 0.22 -7.36 2 5 0 71 207.233 4
Lo Low (pH 4.5-6) -0.99 0.68 -38.27 3 5 1 72 208.241 4

Activity (Go SEA)

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