| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 22 | No |
Popular Name: 4-(3-chloro-1-benzothiophen-2-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile 4-(3-chloro-1-benzothiophen-2-yl…
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CAS Number: 477886-59-2
| 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) | 4.78 | 0.52 | -9.28 | 0 | 3 | 0 | 59 | 325.824 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.78 | 0.51 | -9.28 | 0 | 3 | 0 | 59 | 325.824 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.96 | 2.13 | -21.32 | 0 | 3 | 0 | 59 | 325.824 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.96 | 0.19 | -8 | 0 | 3 | 0 | 59 | 325.824 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.