In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 22 | Yes |
Popular Name: (2R)-1-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]butan-2-ol (2R)-1-[1,3-benzodioxol-5-ylmeth…
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) | 3.16 | 7.17 | -42.4 | 2 | 4 | 1 | 43 | 320.434 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.16 | 5.05 | -8.05 | 1 | 4 | 0 | 42 | 319.426 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.