In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 19 | Yes |
Popular Name: N-[(1S)-1-[(3S)-1-methyl-3-piperidyl]ethyl]-3-morpholino-propan-1-amine N-[(1S)-1-[(3S)-1-methyl-3-piper…
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) | 1.38 | 5.02 | -99.94 | 3 | 4 | 2 | 34 | 271.449 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.38 | 3.82 | -35.2 | 2 | 4 | 1 | 29 | 270.441 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.38 | 7.29 | -178.52 | 4 | 4 | 3 | 35 | 272.457 | 6 | ↓ |