In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: (3S)-3-(aminomethyl)-1-benzyl-N-isobutyl-N-methyl-pyrrolidin-3-amine (3S)-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) | 1.89 | 5.4 | -30.91 | 3 | 3 | 1 | 34 | 276.448 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 6.41 | -34.56 | 3 | 3 | 1 | 34 | 276.448 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.89 | 3.78 | -41.72 | 3 | 3 | 1 | 34 | 276.448 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.89 | 5.9 | -120.6 | 4 | 3 | 2 | 35 | 277.456 | 6 | ↓ |