In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 26 | Yes |
Popular Name: (2R)-1-allyloxy-3-[1,3-benzodioxol-5-ylmethyl-[(5-methyl-2-thienyl)methyl]amino]propan-2-ol (2R)-1-allyloxy-3-[1,3-benzodiox…
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) | 3.14 | 7.7 | -46.05 | 2 | 5 | 1 | 52 | 376.498 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.14 | 5.8 | -10.07 | 1 | 5 | 0 | 51 | 375.49 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.