In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: (3S)-3-(aminomethyl)-1-benzyl-N-ethyl-N-propyl-piperidin-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) | 2.29 | 5.47 | -40.75 | 3 | 3 | 1 | 34 | 290.475 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 6.86 | -34.95 | 3 | 3 | 1 | 34 | 290.475 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 6.67 | -28.76 | 3 | 3 | 1 | 34 | 290.475 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 7.12 | -119.08 | 4 | 3 | 2 | 35 | 291.483 | 7 | ↓ |