UCSF

ZINC43445363

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 0.44 1 -39.88 3 3 1 40 189.323 9
Hi High (pH 8-9.5) 0.44 1.77 -32.45 3 3 1 37 189.323 9
Mid Mid (pH 6-8) 0.44 3.11 -110.6 4 3 2 41 190.331 9

Activity (Go SEA)

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