In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 16 | Yes |
Popular Name: (2R)-N',N',3-trimethyl-N-[(1S)-1-methylhexyl]butane-1,2-diamine (2R)-N',N',3-trimethyl-N-[(1S)-1…
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) | 4.01 | 7.4 | -33.65 | 2 | 2 | 1 | 20 | 229.432 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.01 | 8.52 | -31.1 | 2 | 2 | 1 | 16 | 229.432 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 9.39 | -109.1 | 3 | 2 | 2 | 21 | 230.44 | 9 | ↓ |