| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 15 | No |
Popular Name: MFCD12027945 MFCD12027945
Find On: PubMed — Wikipedia — Google
CAS Number: 1142208-15-8
| 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) | 1.44 | 6.16 | -42.4 | 5 | 4 | 1 | 64 | 221.309 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 5.29 | -42.31 | 5 | 4 | 1 | 64 | 221.309 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 5.25 | -11.57 | 4 | 4 | 0 | 60 | 220.301 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 5.25 | -11.53 | 4 | 4 | 0 | 60 | 220.301 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 5.19 | -44.25 | 5 | 4 | 1 | 62 | 221.309 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
