In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 19 | Yes |
Popular Name: (1R)-N,N-diethyl-N'-(1-ethylpropyl)-1-phenyl-ethane-1,2-diamine (1R)-N,N-diethyl-N'-(1-ethylprop…
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) | 4.21 | 10.06 | -110.73 | 3 | 2 | 2 | 21 | 264.457 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.21 | 8.5 | -31.07 | 2 | 2 | 1 | 16 | 263.449 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.21 | 6.92 | -1.11 | 1 | 2 | 0 | 15 | 262.441 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.21 | 8.1 | -33.1 | 2 | 2 | 1 | 20 | 263.449 | 9 | ↓ |