UCSF

ZINC43412037

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 3.81 9.56 -48.98 1 3 1 22 294.85 4
Hi High (pH 8-9.5) 3.81 7.22 -7.36 0 3 0 21 293.842 4
Lo Low (pH 4.5-6) 3.81 9.63 -82.69 2 3 2 24 295.858 4

Activity (Go SEA)

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