In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 28 | No |
Popular Name: 4-methylsulfonyl-N-[6-(4-phenylpiperazin-1-yl)-3-pyridyl]butanamide 4-methylsulfonyl-N-[6-(4-phenylp…
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) | 2.02 | 6.47 | -25.16 | 1 | 7 | 0 | 83 | 402.52 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 6.81 | -51.99 | 2 | 7 | 1 | 84 | 403.528 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.