UCSF

ZINC43395139

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.90 2.94 -36.72 3 3 1 40 237.367 6
Hi High (pH 8-9.5) 1.90 1.73 -3.77 2 3 0 35 236.359 6
Mid Mid (pH 6-8) 1.90 4.19 -35.88 3 3 1 37 237.367 6
Lo Low (pH 4.5-6) 1.90 5.41 -112.2 4 3 2 41 238.375 6

Activity (Go SEA)

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