In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 19 | Yes |
Popular Name: (2R)-N1-(2-dimethylaminoethyl)-3-phenyl-N1-propyl-propane-1,2-diamine (2R)-N1-(2-dimethylaminoethyl)-3…
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) | 1.92 | 6.87 | -97.7 | 4 | 3 | 2 | 35 | 265.445 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 4.4 | -40.06 | 3 | 3 | 1 | 34 | 264.437 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 6.49 | -36.05 | 3 | 3 | 1 | 34 | 264.437 | 9 | ↓ |