UCSF

ZINC36358952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 33 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) 1.89 3.06 -53.75 1 10 -1 129 447.475 6
Ref Reference (pH 7) 1.71 5.79 -49.03 1 10 -1 125 447.475 6
Lo Low (pH 4.5-6) 1.44 4.95 -15.67 2 10 0 126 448.483 6
Lo Low (pH 4.5-6) 1.25 7.61 -15.39 2 10 0 122 448.483 6

Activity (Go SEA)

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