UCSF

ZINC43433047

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 Yes

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) -1.33 5.03 -113.42 1 6 -2 109 227.216 5
Lo Low (pH 4.5-6) -1.33 3.09 -59.22 2 6 -1 107 228.224 5

Activity (Go SEA)

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