| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 15 | No |
Popular Name: MFCD12027919 MFCD12027919
Find On: PubMed — Wikipedia — Google
CAS Number: 1142207-39-3
| 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) | 1.80 | 5.04 | -40.85 | 5 | 4 | 1 | 62 | 241.727 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 5.11 | -8.61 | 4 | 4 | 0 | 60 | 240.719 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 6.03 | -42.37 | 5 | 4 | 1 | 64 | 241.727 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 6.49 | -45.22 | 5 | 4 | 1 | 64 | 241.727 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 5.11 | -9.02 | 4 | 4 | 0 | 60 | 240.719 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
