In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: (3R)-3-(aminomethyl)-N-(4-ethylcyclohexyl)-1-isopropyl-N-methyl-pyrrolidin-3-amine (3R)-3-(aminomethyl)-N-(4-ethylc…
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) | 2.40 | 3.4 | -42 | 3 | 3 | 1 | 34 | 282.496 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 5.76 | -30.32 | 3 | 3 | 1 | 34 | 282.496 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 7.85 | -98.48 | 4 | 3 | 2 | 35 | 283.504 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 5.14 | -123.36 | 4 | 3 | 2 | 35 | 283.504 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 4.74 | -30.12 | 3 | 3 | 1 | 34 | 282.496 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 7.58 | -223.1 | 5 | 3 | 3 | 37 | 284.512 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 5.67 | -104.86 | 4 | 3 | 2 | 35 | 283.504 | 5 | ↓ |