UCSF

ZINC33700189

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 3.60 9.8 -43.77 0 7 -1 92 449.508 6
Lo Low (pH 4.5-6) 3.60 8.67 -22.59 1 7 0 89 450.516 6

Activity (Go SEA)

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