UCSF

ZINC19209068

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 23 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) 1.56 5.77 -10.55 1 6 0 76 316.357 3
Lo Low (pH 4.5-6) 1.56 6.75 -50.79 2 6 1 80 317.365 3

Activity (Go SEA)

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