UCSF

ZINC05752715

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 22 No

Download: MOL2 SDF SMILES Flexibase

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) 3.30 6.02 -14.19 0 5 0 76 316.382 3
Mid Mid (pH 6-8) 3.30 6.56 -40.22 1 5 1 78 317.39 3

Activity (Go SEA)

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