UCSF

ZINC16893808

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 31 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) 3.87 8.71 -19.49 2 8 0 116 450.549 6
Mid Mid (pH 6-8) 3.87 9.1 -14.97 2 8 0 116 450.549 6
Mid Mid (pH 6-8) 4.33 7.45 -46.1 1 8 -1 120 449.541 6

Activity (Go SEA)

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