In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 19 | Yes |
Popular Name: (1R,2R)-N1-cyclopentyl-N1-ethyl-1-(p-tolyl)propane-1,2-diamine (1R,2R)-N1-cyclopentyl-N1-ethyl-…
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) | 3.36 | 7.92 | -117.43 | 4 | 2 | 2 | 32 | 262.441 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.36 | 7.89 | -26.73 | 3 | 2 | 1 | 30 | 261.433 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.36 | 6.38 | -40.01 | 3 | 2 | 1 | 31 | 261.433 | 5 | ↓ |