In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 19 | Yes |
Popular Name: (2S)-N-(2-pyridylmethyl)-2,3-dihydrobenzothiophene-2-carboxamide (2S)-N-(2-pyridylmethyl)-2,3-dih…
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) | 1.69 | 6.3 | -10.75 | 1 | 3 | 0 | 42 | 270.357 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.69 | 6.58 | -38.89 | 2 | 3 | 1 | 43 | 271.365 | 3 | ↓ |