In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 15 | Yes |
Popular Name: (2S)-3-ethyl-N2-isopentyl-N2-methyl-pentane-1,2-diamine (2S)-3-ethyl-N2-isopentyl-N2-met…
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) | 2.91 | 6.19 | -121.77 | 4 | 2 | 2 | 32 | 216.413 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 5.6 | -41.28 | 3 | 2 | 1 | 31 | 215.405 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 6.78 | -28.56 | 3 | 2 | 1 | 30 | 215.405 | 8 | ↓ |