UCSF

ZINC28647178

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 28 Yes

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) 5.82 11.07 -53.5 2 4 1 37 462.228 6
Mid Mid (pH 6-8) 5.82 8.77 -12.88 1 4 0 36 461.22 6

Activity (Go SEA)

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