In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 21 | Yes |
Popular Name: (2S)-N-[2-(4-benzyl-1-piperidyl)ethyl]-1-methoxy-propan-2-amine (2S)-N-[2-(4-benzyl-1-piperidyl)…
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) | 3.02 | 9.37 | -113.56 | 3 | 3 | 2 | 30 | 292.467 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 7.13 | -35.92 | 2 | 3 | 1 | 29 | 291.459 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 8.14 | -36.29 | 2 | 3 | 1 | 26 | 291.459 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.