UCSF

ZINC05260117

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 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) 3.00 6.63 -29.94 0 9 -1 140 336.305 5
Lo Low (pH 4.5-6) 3.00 6.58 -13.99 1 9 0 138 337.313 5

Activity (Go SEA)

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