In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
Popular Name: (3R)-N1-butyl-N1-[(1S)-1-methylpropyl]-N3-propyl-butane-1,3-diamine (3R)-N1-butyl-N1-[(1S)-1-methylp…
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) | 4.25 | 9.44 | -102.03 | 3 | 2 | 2 | 21 | 244.467 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.25 | 8.39 | -28.46 | 2 | 2 | 1 | 16 | 243.459 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.25 | 7.18 | -35.46 | 2 | 2 | 1 | 20 | 243.459 | 11 | ↓ |