UCSF

ZINC19919357

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 Yes

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) 1.67 4.9 -33.6 2 3 1 33 222.356 7
Mid Mid (pH 6-8) 1.67 5.83 -32.56 2 3 1 29 222.356 7
Lo Low (pH 4.5-6) 1.67 6.47 -81.67 3 3 2 31 223.364 7

Activity (Go SEA)

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