In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 15 | Yes |
Popular Name: (2S)-3-ethyl-N-isobutyl-N',N'-dimethyl-pentane-1,2-diamine (2S)-3-ethyl-N-isobutyl-N',N'-di…
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) | 3.01 | 6.54 | -33.2 | 2 | 2 | 1 | 20 | 215.405 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 6.49 | -32.31 | 2 | 2 | 1 | 16 | 215.405 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 8.38 | -103.12 | 3 | 2 | 2 | 21 | 216.413 | 8 | ↓ |