In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 18 | Yes |
Popular Name: (3R)-1-isopropyl-N-[(1R)-1-(p-tolyl)ethyl]pyrrolidin-3-amine (3R)-1-isopropyl-N-[(1R)-1-(p-to…
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) | 3.33 | 6.89 | -37.18 | 2 | 2 | 1 | 20 | 247.406 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.33 | 5.95 | -2.03 | 1 | 2 | 0 | 15 | 246.398 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 8.3 | -32.91 | 2 | 2 | 1 | 16 | 247.406 | 4 | ↓ |