| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2010 | 22 | Yes |
Popular Name: (3S)-3-[4-(1-naphthylmethyl)piperazin-1-yl]butanenitrile (3S)-3-[4-(1-naphthylmethyl)pipe…
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| 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) | 2.58 | 7.42 | -9.1 | 0 | 3 | 0 | 30 | 293.414 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 9.69 | -42.18 | 1 | 3 | 1 | 31 | 294.422 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
