UCSF

ZINC43401282

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.79 5.39 -34.47 4 5 1 77 277.392 5
Mid Mid (pH 6-8) 0.79 6.41 -7.2 3 5 0 75 276.384 5
Lo Low (pH 4.5-6) 0.79 5.83 -90.59 5 5 2 78 278.4 5

Activity (Go SEA)

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