In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 21 | Yes |
Popular Name: (1R)-N'-(2-dimethylaminoethyl)-1-phenyl-N,N'-dipropyl-ethane-1,2-diamine (1R)-N'-(2-dimethylaminoethyl)-1…
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) | 3.50 | 9.85 | -95.74 | 3 | 3 | 2 | 24 | 293.499 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 7.99 | -35.03 | 2 | 3 | 1 | 20 | 292.491 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 7.37 | -34.57 | 2 | 3 | 1 | 23 | 292.491 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 9.01 | -34.92 | 2 | 3 | 1 | 20 | 292.491 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.50 | 11.48 | -218.26 | 4 | 3 | 3 | 25 | 294.507 | 11 | ↓ |