UCSF

ZINC39379301

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 26 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) 5.39 9.21 -50.92 0 4 -1 66 338.342 1
Mid Mid (pH 6-8) 5.39 8.35 -11.82 1 4 0 63 339.35 1
Mid Mid (pH 6-8) 5.39 8.79 -12.39 1 4 0 63 339.35 1

Activity (Go SEA)

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