In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1R,2S)-N2-butyl-N2-cyclopropyl-N1-methyl-1-(p-tolyl)propane-1,2-diamine (1R,2S)-N2-butyl-N2-cyclopropyl-…
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) | 4.29 | 10.79 | -111.25 | 3 | 2 | 2 | 21 | 276.468 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.29 | 8.9 | -36.9 | 2 | 2 | 1 | 20 | 275.46 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 8.4 | -28.95 | 2 | 2 | 1 | 16 | 275.46 | 8 | ↓ |