In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 18 | Yes |
Popular Name: (3R)-3-(aminomethyl)-1-benzyl-N-ethyl-N-methyl-pyrrolidin-3-amine (3R)-3-(aminomethyl)-1-benzyl-N-…
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) | 1.14 | 5.42 | -105.97 | 4 | 3 | 2 | 35 | 249.402 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.14 | 4.66 | -34.55 | 3 | 3 | 1 | 34 | 248.394 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.14 | 5.29 | -119.61 | 4 | 3 | 2 | 35 | 249.402 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.14 | 3.53 | -43.74 | 3 | 3 | 1 | 34 | 248.394 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.14 | 3.15 | -1.66 | 2 | 3 | 0 | 32 | 247.386 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.14 | 4.96 | -27.93 | 3 | 3 | 1 | 34 | 248.394 | 5 | ↓ |