In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: (3R)-3-(aminomethyl)-N-(1-ethylpropyl)-1-isopropyl-N-(2-methoxyethyl)pyrrolidin-3-amine (3R)-3-(aminomethyl)-N-(1-ethylp…
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) | 1.77 | 5.94 | -91.74 | 4 | 4 | 2 | 44 | 287.492 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.77 | 2.03 | -35.12 | 3 | 4 | 1 | 43 | 286.484 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.77 | 4.6 | -33.65 | 3 | 4 | 1 | 43 | 286.484 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 5.11 | -199.32 | 5 | 4 | 3 | 46 | 288.5 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 1.87 | -24.73 | 3 | 4 | 1 | 43 | 286.484 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 1.67 | -1.12 | 2 | 4 | 0 | 42 | 285.476 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.77 | 4.65 | -96.35 | 4 | 4 | 2 | 45 | 287.492 | 9 | ↓ |