In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 22 | Yes |
Popular Name: 4-[3-(3-chlorophenyl)propanoyl]-1,4-diazepane-1-sulfonamide 4-[3-(3-chlorophenyl)propanoyl]-…
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) | 1.56 | 3.69 | -15.85 | 2 | 6 | 0 | 84 | 345.852 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 4.08 | -48.15 | 1 | 6 | -1 | 81 | 344.844 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.