UCSF

ZINC43425365

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 2.63 4.75 -7.82 0 3 0 36 234.343 1
Mid Mid (pH 6-8) 2.63 6.51 -38.75 1 3 1 37 235.351 1

Activity (Go SEA)

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