UCSF

ZINC12779357

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 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) 0.96 3.56 -45.15 4 5 1 77 296.778 4
Mid Mid (pH 6-8) 1.27 -0.24 -8.78 3 5 0 76 295.77 4
Mid Mid (pH 6-8) 0.96 1.37 -11.86 3 5 0 75 295.77 4

Activity (Go SEA)

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