UCSF

ZINC43587251

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 38 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) 7.89 19.84 -194.57 1 9 -3 153 539.734 26
Lo Low (pH 4.5-6) 7.89 17.86 -117.68 2 9 -2 150 540.742 26

Activity (Go SEA)

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