In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N1-ethyl-1-(3-methyl-2-thienyl)-N1-(m-tolyl)propane-1,2-diamine (1S,2R)-N1-ethyl-1-(3-methyl-2-t…
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) | 3.90 | 8.14 | -41.88 | 3 | 2 | 1 | 31 | 289.468 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.90 | 8.29 | -4.02 | 2 | 2 | 0 | 29 | 288.46 | 5 | ↓ |