In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | Yes |
Popular Name: 6-methyl-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carboxamidine 6-methyl-2-[(4S)-4-methyl-6,7-di…
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) | 1.36 | 6.05 | -38.41 | 4 | 4 | 1 | 68 | 287.412 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 7.65 | -5.82 | 3 | 4 | 0 | 66 | 286.404 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.36 | 6.47 | -96.04 | 5 | 4 | 2 | 69 | 288.42 | 2 | ↓ |