UCSF

ZINC37834052

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.99 5.77 -39.35 1 4 1 28 276.832 6
Lo Low (pH 4.5-6) 0.99 8.23 -100.22 2 4 2 29 277.84 6
Lo Low (pH 4.5-6) 0.99 5.84 -39.07 1 4 1 28 276.832 6

Activity (Go SEA)

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