In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 20 | Yes |
Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-methanamine (1R)-1-(2,5-dichloro-3-thienyl)-…
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) | 3.97 | 7.29 | -43.78 | 2 | 3 | 1 | 35 | 331.244 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.97 | 6.43 | -4.82 | 1 | 3 | 0 | 30 | 330.236 | 3 | ↓ |