UCSF

ZINC16722146

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.48 9.06 -22.5 1 7 0 101 346.412 4
Mid Mid (pH 6-8) 3.54 8.15 -42.63 0 7 -1 107 345.404 4

Activity (Go SEA)

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