In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 21 | Yes |
Popular Name: (1S,2R)-6-methoxy-N2-(3-methoxypropyl)-N1,N2-dimethyl-tetralin-1,2-diamine (1S,2R)-6-methoxy-N2-(3-methoxyp…
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) | 2.50 | 5.89 | -36.92 | 2 | 4 | 1 | 35 | 293.431 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.50 | 5.06 | -38.01 | 2 | 4 | 1 | 38 | 293.431 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.50 | 3.47 | -4.41 | 1 | 4 | 0 | 34 | 292.423 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.