| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2009 | 29 | Yes |
(3S)-9,10-seco-5Z,7E,10(19)-ergostatrien-3-ol
(3S,5Z,7E)-9,10-Secoergosta-5,7,10-trien-3-ol
(5Z,7E)-(3S)-9,10-Seco-5,7,10(19)-ergostatrien-3-ol; 22-Dihydroergocalciferol; C18192; Vitamin D4
| 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) | 8.35 | 13.89 | -2.2 | 1 | 1 | 0 | 20 | 398.675 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.