UCSF

ZINC44018332

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 42 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) 5.97 5.78 -22.14 4 10 0 160 566.518 5
Hi High (pH 8-9.5) 5.97 6.77 -66.41 3 10 -1 163 565.51 5

Activity (Go SEA)

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