UCSF

ZINC13220379

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 18 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) 3.15 8.2 -13.01 0 2 0 26 236.318 2
Lo Low (pH 4.5-6) 3.15 8.99 -80.37 2 2 2 28 238.334 2
Lo Low (pH 4.5-6) 3.15 8.6 -26.37 1 2 1 27 237.326 2

Activity (Go SEA)

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