In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 20 | Yes |
Popular Name: (1R)-N'-(1-ethylpropyl)-1-(4-isopropoxyphenyl)-N'-methyl-ethane-1,2-diamine (1R)-N'-(1-ethylpropyl)-1-(4-iso…
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) | 2.00 | 7.96 | -130.54 | 4 | 3 | 2 | 41 | 280.456 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.00 | 7.91 | -33.18 | 3 | 3 | 1 | 40 | 279.448 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.00 | 6.45 | -42.03 | 3 | 3 | 1 | 40 | 279.448 | 8 | ↓ |