In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 29 | Yes |
Popular Name: N-[6-[4-[(2S)-2-hydroxy-3-morpholino-propyl]piperazin-1-yl]-3-pyridyl]-3-methyl-butanamide N-[6-[4-[(2S)-2-hydroxy-3-morpho…
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) | 1.26 | 1.88 | -11.99 | 2 | 8 | 0 | 81 | 405.543 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.26 | 2.24 | -36.55 | 3 | 8 | 1 | 82 | 406.551 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.26 | 4.14 | -45.15 | 3 | 8 | 1 | 82 | 406.551 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.26 | 4.51 | -82.95 | 4 | 8 | 2 | 84 | 407.559 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.26 | 4.03 | -47.28 | 3 | 8 | 1 | 82 | 406.551 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.26 | 6.32 | -114.32 | 4 | 8 | 2 | 84 | 407.559 | 8 | ↓ |