UCSF

ZINC35123227

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 19 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) -0.43 6.93 -72.75 0 6 -1 81 269.321 5
Lo Low (pH 4.5-6) -0.43 4.45 -19.68 1 6 0 78 270.329 5

Activity (Go SEA)

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