In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 38 | Yes |
Popular Name: 2,3-diphenyl-N-[[1-(3-thienylmethyl)-4-piperidyl]methyl]quinoxaline-6-carboxamide 2,3-diphenyl-N-[[1-(3-thienylmet…
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) | 6.04 | 14.6 | -54.6 | 2 | 5 | 1 | 59 | 519.694 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.04 | 12.35 | -15.22 | 1 | 5 | 0 | 58 | 518.686 | 7 | ↓ |