| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2010 | 23 | Yes |
Popular Name: (3S)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butanenitrile (3S)-3-[4-(naphthalene-1-carbony…
| 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) | 1.74 | 7.94 | -15.7 | 0 | 4 | 0 | 47 | 307.397 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.74 | 9.86 | -50.47 | 1 | 4 | 1 | 49 | 308.405 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
