In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2011 | 21 | Yes |
Popular Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(5-fluoro-2-methyl-phenyl)methanone [4-(3-aminopropyl)-1,4-diazepan-…
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) | 0.68 | 5.2 | -48.57 | 3 | 4 | 1 | 51 | 294.394 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.68 | 7.01 | -114.14 | 4 | 4 | 2 | 52 | 295.402 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.