| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 12th, 2006 | 18 | Yes |
Popular Name: MFCD07400491 MFCD07400491
Find On: PubMed — Wikipedia — Google
CAS Number: 887686-71-7
3-(2,6-Dimethyl-pyrimidin-4-ylamino)-benzoic acid
3-(2,6-dimethyl-pyrimidin-4-ylamino)-benzoicacid
| 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) | 2.54 | -0.32 | -51.88 | 1 | 5 | -1 | 77 | 242.258 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.