UCSF

ZINC13569165

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 27 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) 3.70 10.09 -11.25 0 3 0 29 357.432 6
Lo Low (pH 4.5-6) 3.70 11.7 -106.54 2 3 2 31 359.448 6
Lo Low (pH 4.5-6) 3.70 11.7 -125.66 2 3 2 31 359.448 6

Activity (Go SEA)

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