UCSF

ZINC39593070

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 17 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) 2.21 4.69 -4.31 0 3 0 22 231.295 2
Mid Mid (pH 6-8) 2.21 7.07 -38.66 1 3 1 23 232.303 2

Activity (Go SEA)

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