UCSF

ZINC17196183

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 25 No

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) 5.87 7.34 -7.65 2 5 0 78 434.702 1
Ref Reference (pH 7) 5.38 6.85 -37.95 1 5 -1 77 433.694 2
Mid Mid (pH 6-8) 6.79 3.82 -96.87 0 5 -2 84 432.686 1
Mid Mid (pH 6-8) 6.33 5.38 -37.14 1 5 -1 81 433.694 1
Mid Mid (pH 6-8) 5.84 4.91 -94.55 0 5 -2 80 432.686 2
Mid Mid (pH 6-8) 6.33 5.8 -40.01 1 5 -1 81 433.694 1

Activity (Go SEA)

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