UCSF

ZINC57366613

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 17 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) 2.22 9.07 -40.71 1 5 1 53 236.295 3
Mid Mid (pH 6-8) 2.22 6.83 -7.81 0 5 0 52 235.287 3

Activity (Go SEA)

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