In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2012 | 10 | Yes |
Popular Name: 3-amino-4-iodo-1H-pyrazole-5-carboxylic 3-amino-4-iodo-1H-pyrazole-5-car…
Find On: PubMed — Wikipedia — Google
CAS Number: 124004-31-5
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) | 0.75 | 1.32 | -47.83 | 3 | 5 | -1 | 95 | 251.991 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.75 | 1.3 | -37.52 | 3 | 5 | -1 | 95 | 251.991 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.