| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2006 | 14 | No |
Popular Name: 12'-hydroxy-2',5'-alpha-bis(1-methyl-ethyl)ergotaman-3',6',18-trione 12'-hydroxy-2',5'-alpha-bis(1-me…
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CAS Number: 564-36-3
| 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) | 1.86 | 0.13 | -5.59 | 1 | 5 | 0 | 61 | 193.206 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.