In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 17 | Yes |
Popular Name: (3R)-3-(aminomethyl)-1-isopropyl-N,N-dipropyl-pyrrolidin-3-amine (3R)-3-(aminomethyl)-1-isopropyl…
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 |
---|---|---|---|---|---|---|---|---|---|---|
Hi High (pH 8-9.5) | 1.80 | 3.42 | -43.03 | 3 | 3 | 1 | 34 | 242.431 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 4.93 | -29.71 | 3 | 3 | 1 | 34 | 242.431 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 6.13 | -95.79 | 4 | 3 | 2 | 35 | 243.439 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 4.66 | -118.69 | 4 | 3 | 2 | 35 | 243.439 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 4.93 | -27.35 | 3 | 3 | 1 | 34 | 242.431 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.80 | 4.92 | -101.56 | 4 | 3 | 2 | 35 | 243.439 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.80 | 6.73 | -216.02 | 5 | 3 | 3 | 37 | 244.447 | 7 | ↓ |