In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 16 | Yes |
Popular Name: N-isopropyl-N-methyl-N'-[(3R)-3-piperidyl]butane-1,4-diamine N-isopropyl-N-methyl-N'-[(3R)-3-…
None
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) | 1.17 | 6.29 | -176.29 | 5 | 3 | 3 | 38 | 230.42 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.17 | 5.1 | -79.26 | 4 | 3 | 2 | 33 | 229.412 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.17 | 4.93 | -90.9 | 4 | 3 | 2 | 33 | 229.412 | 7 | ↓ |