UCSF

ZINC16894146

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 29 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) 4.11 8.36 -23.39 2 7 0 101 443.579 6
Mid Mid (pH 6-8) 4.11 8.61 -21.22 2 7 0 101 443.579 6
Mid Mid (pH 6-8) 4.57 7.12 -52.87 1 7 -1 104 442.571 6

Activity (Go SEA)

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