In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N2-(2-dimethylaminoethyl)-N1-methyl-N2-propyl-indane-1,2-diamine (1S,2R)-N2-(2-dimethylaminoethyl…
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) | 2.60 | 6.36 | -34.38 | 2 | 3 | 1 | 20 | 276.448 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 4.83 | -2.25 | 1 | 3 | 0 | 19 | 275.44 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 8.83 | -113.01 | 3 | 3 | 2 | 21 | 277.456 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 5.83 | -32.94 | 2 | 3 | 1 | 23 | 276.448 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 7.29 | -38.25 | 2 | 3 | 1 | 20 | 276.448 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 8.3 | -103.93 | 3 | 3 | 2 | 24 | 277.456 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 10.19 | -228.53 | 4 | 3 | 3 | 25 | 278.464 | 7 | ↓ |