| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 19 | Yes |
Popular Name: 1-[4-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(4-amino-1H-pyrrole-2-carbo…
| 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) | 0.30 | 3.97 | -12.69 | 3 | 6 | 0 | 82 | 264.329 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.14 | 2.86 | -56.3 | 3 | 6 | 1 | 81 | 265.337 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
