| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 22 | Yes |
Popular Name: (3R)-1-(2-aminoethyl)-4-[(4-fluorophenyl)methyl]-3-isopropyl-1,4-diazepan-5-one (3R)-1-(2-aminoethyl)-4-[(4-fluo…
| 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) | 1.30 | 4.82 | -55.63 | 3 | 4 | 1 | 51 | 308.421 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 6.71 | -138.68 | 4 | 4 | 2 | 52 | 309.429 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
