In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 13 | Yes |
Popular Name: (3R)-N1-[(1R)-1,2-dimethylpropyl]-N1,N3-dimethyl-butane-1,3-diamine (3R)-N1-[(1R)-1,2-dimethylpropyl…
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) | 2.18 | 6.4 | -100.19 | 3 | 2 | 2 | 21 | 188.359 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 5.28 | -28.91 | 2 | 2 | 1 | 16 | 187.351 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 4.67 | -35.13 | 2 | 2 | 1 | 20 | 187.351 | 6 | ↓ |