In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 24 | Yes |
Popular Name: 3-amino-N-(3-pyridylmethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide 3-amino-N-(3-pyridylmethyl)-5,6,…
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) | 2.40 | 4.99 | -10.41 | 3 | 5 | 0 | 81 | 338.436 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 5.37 | -32.89 | 4 | 5 | 1 | 82 | 339.444 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 5.84 | -76.45 | 5 | 5 | 2 | 83 | 340.452 | 3 | ↓ |