UCSF

ZINC05713533

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 21 No

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) 0.87 2.75 -42.46 1 7 -1 115 310.355 5
Mid Mid (pH 6-8) 0.73 3.98 -40.25 1 7 -1 109 310.355 5
Mid Mid (pH 6-8) 0.69 4.72 -13.76 2 7 0 108 311.363 5

Activity (Go SEA)

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