UCSF

ZINC39387567

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 18 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) 2.78 9.48 -144.95 0 4 -2 80 240.214 3
Lo Low (pH 4.5-6) 2.78 7.36 -55.98 1 4 -1 77 241.222 3
Lo Low (pH 4.5-6) 2.78 7.49 -66.15 1 4 -1 77 241.222 3

Activity (Go SEA)

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