UCSF

ZINC43900878

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 15 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) 1.14 1.65 -35.99 2 3 1 29 227.25 4
Mid Mid (pH 6-8) 1.14 3.46 -115.34 3 3 2 30 228.258 4
Mid Mid (pH 6-8) 1.14 3.7 -32.89 2 3 1 26 227.25 4

Activity (Go SEA)

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