UCSF

ZINC39984980

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 20 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) 0.72 7.25 -10.48 0 5 0 59 268.32 4
Lo Low (pH 4.5-6) 0.72 6.77 -38.97 1 5 1 60 269.328 4

Activity (Go SEA)

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