In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 20 | Yes |
Popular Name: (1R)-N,N-dibutyl-1-(3-methoxyphenyl)ethane-1,2-diamine (1R)-N,N-dibutyl-1-(3-methoxyphe…
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) | 3.64 | 8.11 | -130 | 4 | 3 | 2 | 41 | 280.456 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 5.94 | -45.93 | 3 | 3 | 1 | 40 | 279.448 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 8.05 | -31.75 | 3 | 3 | 1 | 40 | 279.448 | 10 | ↓ |