UCSF

ZINC03415246

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 28 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) 2.37 -3.74 -18.62 2 8 0 102 378.388 6
Lo Low (pH 4.5-6) 2.37 -2.61 -86.94 4 8 2 104 380.404 6
Lo Low (pH 4.5-6) 2.37 -3.18 -48.86 3 8 1 103 379.396 6

Activity (Go SEA)

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