UCSF

ZINC06420248

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 26 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) 1.24 6.67 -49.03 0 6 -1 83 355.345 6
Mid Mid (pH 6-8) 1.24 5.53 -12.65 1 6 0 80 356.353 6
Mid Mid (pH 6-8) 0.65 5.9 -14.56 0 6 0 77 356.353 6
Lo Low (pH 4.5-6) 0.65 6.17 -46.69 1 6 1 78 357.361 6
Lo Low (pH 4.5-6) 1.24 5.81 -52 2 6 1 81 357.361 6

Activity (Go SEA)

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