In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 18 | Yes |
Popular Name: (1R)-N-(2-dimethylaminoethyl)-1-(3-methyl-2-thienyl)-N-propyl-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) | 1.91 | 5.63 | -106.66 | 4 | 3 | 2 | 35 | 271.474 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 4.75 | -32.25 | 3 | 3 | 1 | 34 | 270.466 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 3.17 | -44.66 | 3 | 3 | 1 | 34 | 270.466 | 8 | ↓ |