In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 28 | Yes |
Popular Name: 6-[(3S)-4-isopropyl-3-methyl-piperazin-1-yl]-N-[3-(2-pyridyl)propyl]pyridine-3-carboxamide 6-[(3S)-4-isopropyl-3-methyl-pip…
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) | 2.14 | 8.43 | -42.94 | 2 | 6 | 1 | 63 | 382.532 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 6.27 | -11.05 | 1 | 6 | 0 | 61 | 381.524 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 8.81 | -84.48 | 3 | 6 | 2 | 64 | 383.54 | 7 | ↓ |