In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: (1R,2R)-N'-ethyl-1,2-diphenyl-N'-propyl-ethane-1,2-diamine (1R,2R)-N'-ethyl-1,2-diphenyl-N'…
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) | 2.29 | 9.75 | -124.99 | 4 | 2 | 2 | 32 | 284.447 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 7.75 | -2.52 | 2 | 2 | 0 | 29 | 282.431 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 8.05 | -43.97 | 3 | 2 | 1 | 31 | 283.439 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 9.12 | -27.91 | 3 | 2 | 1 | 30 | 283.439 | 7 | ↓ |