| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2013 | 23 | Yes |
Popular Name: 6-(2-PROPENYL)-ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER 6-(2-PROPENYL)-ERGOLINE-8-CARBOX…
Find On: PubMed — Wikipedia — Google
CAS Number: 72821-79-5
| 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) | 2.94 | 7.06 | -33.69 | 1 | 4 | 1 | 44 | 311.405 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 9.24 | -101.95 | 2 | 4 | 2 | 45 | 312.413 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.