UCSF

ZINC43424389

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 13 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) 0.38 0.43 -45.07 3 3 1 40 185.291 2
Lo Low (pH 4.5-6) 0.38 2.64 -117.22 4 3 2 41 186.299 2

Activity (Go SEA)

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