UCSF

ZINC04126235

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 25 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) 1.23 -2.98 -16.76 4 8 0 133 356.411 5
Lo Low (pH 4.5-6) 1.23 -2.8 -50.59 5 8 1 135 357.419 5
Lo Low (pH 4.5-6) 1.23 -2.77 -43.56 5 8 1 135 357.419 5

Activity (Go SEA)

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