In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 16 | Yes |
Popular Name: N',N'-dimethyl-N-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethane-1,2-diamine N',N'-dimethyl-N-propyl-N-[2-[(2…
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) | 1.70 | 5.85 | -91.6 | 3 | 3 | 2 | 24 | 229.412 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 6.58 | -105.78 | 3 | 3 | 2 | 21 | 229.412 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 4.13 | -33.4 | 2 | 3 | 1 | 20 | 228.404 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 5.5 | -104.07 | 3 | 3 | 2 | 24 | 229.412 | 8 | ↓ |