| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 18 | Yes |
Popular Name: MFCD09971821 MFCD09971821
Find On: PubMed — Wikipedia — Google
CAS Number: 957969-43-6
1-(1H-Benzimidazol-1-ylmethyl)-1H-pyrazole-3-carboxylic acid
| 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) | 1.37 | 8.26 | -64.8 | 0 | 6 | -1 | 76 | 241.23 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 8.74 | -75.65 | 1 | 6 | 0 | 77 | 242.238 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
