In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2011 | 24 | Yes |
Popular Name: (2S)-1-[(1,3-dimethyl-5-morpholino-pyrazol-4-yl)methylamino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-1-[(1,3-dimethyl-5-morpholi…
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) | -0.04 | 4.71 | -110.07 | 4 | 7 | 2 | 72 | 339.484 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.04 | 3.27 | -37.95 | 3 | 7 | 1 | 67 | 338.476 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.04 | 2.18 | -44.14 | 3 | 7 | 1 | 70 | 338.476 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.04 | 5.23 | -44.31 | 3 | 7 | 1 | 74 | 338.476 | 7 | ↓ |