UCSF

ZINC05389818

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 26 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) 2.96 8.16 -75.23 0 6 -1 79 354.382 5
Lo Low (pH 4.5-6) 2.96 6.07 -21.65 1 6 0 76 355.39 5

Activity (Go SEA)

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