| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2014 | 28 | Yes |
Popular Name: 3-[4-(3,6-dihydro-4-phenyl-1(2h)-pyridinyl)butyl]-1h-indole-5-carboxylic acid hydrochloride 3-[4-(3,6-dihydro-4-phenyl-1(2h)…
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CAS Number: 98323-83-2
| 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) | 4.81 | 14.05 | -103.72 | 2 | 4 | 1 | 59 | 375.492 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.81 | 11.79 | -61.31 | 1 | 4 | 0 | 57 | 374.484 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.81 | 12.06 | -97.36 | 3 | 4 | 2 | 56 | 376.5 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.