In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2010 | 20 | Yes |
Popular Name: [5-(3-hydroxyprop-1-ynyl)-3-pyridyl]-(4-methyl-1,4-diazepan-1-yl)methanone [5-(3-hydroxyprop-1-ynyl)-3-pyri…
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) | -0.62 | 4.55 | -45.17 | 2 | 5 | 1 | 58 | 274.344 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.