In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2011 | 21 | Yes |
Popular Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-3-pyrrolidin-1-yl-propan-1-amine (2R)-N-(2,3-dihydro-1,4-benzodio…
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) | 2.18 | 8.34 | -114.43 | 3 | 4 | 2 | 40 | 292.423 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 6.25 | -42.02 | 2 | 4 | 1 | 38 | 291.415 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 6.98 | -36.34 | 2 | 4 | 1 | 35 | 291.415 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.