UCSF

ZINC35824015

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 20 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 5.47 -32.06 3 6 0 95 273.292 3
Lo Low (pH 4.5-6) -0.43 5.94 -72.79 4 6 1 96 274.3 3
Lo Low (pH 4.5-6) -0.43 4.67 -59.8 3 6 0 91 273.292 3

Activity (Go SEA)

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