UCSF

ZINC39897924

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 27 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) 3.44 4.21 -13.23 3 6 0 89 404.253 4
Mid Mid (pH 6-8) 3.44 4.98 -48.09 2 6 -1 92 403.245 4

Activity (Go SEA)

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