| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2010 | 12 | Yes |
Popular Name: (3S)-N3-methyl-N3-[(2R)-2-methylbutyl]butane-1,3-diamine (3S)-N3-methyl-N3-[(2R)-2-methyl…
| 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) | 1.37 | 4.71 | -104.56 | 4 | 2 | 2 | 32 | 174.332 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 4.31 | -29.99 | 3 | 2 | 1 | 30 | 173.324 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 3.04 | -40.16 | 3 | 2 | 1 | 31 | 173.324 | 6 | ↓ |
