UCSF

ZINC43700257

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) -1.77 1.63 -34.64 3 5 0 80 228.292 3
Mid Mid (pH 6-8) -1.77 3.13 -37.63 3 5 0 80 228.292 3
Mid Mid (pH 6-8) -1.77 1.23 -44.36 2 5 -1 79 227.284 3
Mid Mid (pH 6-8) -1.77 3.48 -83.56 4 5 1 81 229.3 3

Activity (Go SEA)

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