In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 20 | Yes |
Popular Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N,N-diethyl-ethane-1,2-diamine N'-[2-(3,4-dihydro-1H-isoquinoli…
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) | 1.95 | 8.84 | -88.62 | 3 | 3 | 2 | 21 | 277.456 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.95 | 4.47 | -2.68 | 1 | 3 | 0 | 19 | 275.44 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.95 | 6.59 | -32.9 | 2 | 3 | 1 | 20 | 276.448 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 7.93 | -115.8 | 3 | 3 | 2 | 24 | 277.456 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 5.84 | -42.01 | 2 | 3 | 1 | 23 | 276.448 | 8 | ↓ |