| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 11 | Yes |
Popular Name: MFCD13561536 MFCD13561536
Find On: PubMed — Wikipedia — Google
CAS Number: 1220034-40-1
| 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) | 0.92 | 1.86 | -28.71 | 1 | 2 | 0 | 19 | 156.273 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 1.1 | -0.91 | 1 | 2 | 0 | 15 | 156.273 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 3.15 | -28.93 | 2 | 2 | 1 | 16 | 157.281 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 4.49 | -100.07 | 3 | 2 | 2 | 21 | 158.289 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
