UCSF

ZINC04436379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 29 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) 3.71 11.04 -19.61 1 7 0 78 414.531 5
Hi High (pH 8-9.5) 4.05 11.88 -45.34 0 7 -1 80 413.523 5
Hi High (pH 8-9.5) 3.89 10.47 -44.35 0 7 -1 80 413.523 5

Activity (Go SEA)

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