UCSF

ZINC19834170

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 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) 4.00 3.96 -10.02 4 5 0 88 413.069 3
Hi High (pH 8-9.5) 4.00 4.52 -53.07 3 5 -1 91 412.061 3
Lo Low (pH 4.5-6) 4.00 4.32 -38.35 5 5 1 89 414.077 3

Activity (Go SEA)

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