UCSF

ZINC67894629

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 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) 3.92 7.87 -65.39 3 5 0 76 357.498 4
Mid Mid (pH 6-8) 3.92 10.13 -85.49 4 5 1 77 358.506 4

Activity (Go SEA)

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