UCSF

ZINC16661323

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.61 -1.36 -25.88 1 10 0 122 461.562 7
Mid Mid (pH 6-8) 0.61 0.78 -53.37 2 10 1 124 462.57 7

Activity (Go SEA)

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