UCSF

ZINC38256773

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 36 No

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) 3.81 10.54 -60.91 0 7 -1 92 483.544 8
Lo Low (pH 4.5-6) 3.81 10.26 -42.5 2 7 1 90 485.56 8
Lo Low (pH 4.5-6) 3.81 9.79 -17.37 1 7 0 89 484.552 8

Activity (Go SEA)

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