UCSF

ZINC39048633

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) -0.30 0.66 -46.87 5 3 1 71 151.189 2
Mid Mid (pH 6-8) -0.30 0.25 -6.17 4 3 0 69 150.181 2

Activity (Go SEA)

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