UCSF

ZINC36232402

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.77 2.9 -1.79 2 3 0 38 226.364 1
Mid Mid (pH 6-8) 1.77 4.64 -119.67 4 3 2 41 228.38 1
Lo Low (pH 4.5-6) 1.77 4.35 -28.96 3 3 1 40 227.372 1

Activity (Go SEA)

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