In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2010 | 20 | Yes |
Popular Name: (1R)-N'-ethyl-N'-(m-tolyl)-1-(o-tolyl)ethane-1,2-diamine (1R)-N'-ethyl-N'-(m-tolyl)-1-(o-…
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) | 2.36 | 9.3 | -44.88 | 3 | 2 | 1 | 31 | 269.412 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 8.93 | -3.49 | 2 | 2 | 0 | 29 | 268.404 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.