In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2009 | 21 | Yes |
Popular Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)propan-1-ol (2S)-2-(1,3-benzodioxol-5-yl)-2-…
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) | 3.80 | 4.48 | -40.9 | 3 | 4 | 1 | 55 | 292.399 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.