UCSF

ZINC16897127

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 34 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) 6.61 11.15 -27.22 2 7 0 101 513.714 8
Mid Mid (pH 6-8) 6.61 11.56 -23.14 2 7 0 101 513.714 8
Mid Mid (pH 6-8) 7.07 9.91 -62.53 1 7 -1 104 512.706 8

Activity (Go SEA)

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