UCSF

ZINC44418168

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 41 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) 5.13 18.03 -166.92 0 10 -3 165 573.659 15
Lo Low (pH 4.5-6) 5.13 15.99 -99.45 1 10 -2 162 574.667 15

Activity (Go SEA)

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