In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 24 | Yes |
Popular Name: 5-[(2R)-2-(aminomethyl)-1,2-dihydrobenzo[e]benzofuran-7-yl]pyridine-3-carboxamide 5-[(2R)-2-(aminomethyl)-1,2-dihy…
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) | 1.44 | 3.13 | -53.66 | 5 | 5 | 1 | 93 | 320.372 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.44 | 2.7 | -13.32 | 4 | 5 | 0 | 91 | 319.364 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.