UCSF

ZINC20135575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 31 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) 3.69 11.59 -72.95 1 6 0 78 418.493 7
Lo Low (pH 4.5-6) 3.69 10.77 -45.02 2 6 1 75 419.501 7

Activity (Go SEA)

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