In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 28th, 2008 | 23 | Yes |
Popular Name: N-benzyl-N',N'-dimethyl-N-[(3S)-3-phenylbutyl]ethane-1,2-diamine N-benzyl-N',N'-dimethyl-N-[(3S)-…
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) | 4.64 | 11.68 | -38.16 | 1 | 2 | 1 | 8 | 311.493 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.64 | 12.01 | -37.97 | 1 | 2 | 1 | 8 | 311.493 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.64 | 14.22 | -119.01 | 2 | 2 | 2 | 9 | 312.501 | 9 | ↓ |