In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 18 | Yes |
Popular Name: (2S)-N1,3,3-trimethyl-N2-propyl-N1-[(1S)-1,2,2-trimethylpropyl]butane-1,2-diamine (2S)-N1,3,3-trimethyl-N2-propyl-…
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) | 4.73 | 9.08 | -101.88 | 3 | 2 | 2 | 21 | 258.494 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.73 | 9.15 | -30.74 | 2 | 2 | 1 | 20 | 257.486 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.73 | 8.44 | -27.79 | 2 | 2 | 1 | 16 | 257.486 | 8 | ↓ |