In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 16 | Yes |
Popular Name: (2S)-N'-benzyl-N'-isopropyl-2-methyl-propane-1,3-diamine (2S)-N'-benzyl-N'-isopropyl-2-me…
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) | 1.97 | 5.18 | -43.95 | 3 | 2 | 1 | 31 | 221.368 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 6.52 | -31.19 | 3 | 2 | 1 | 30 | 221.368 | 6 | ↓ |