| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 17 | Yes |
Popular Name: 4-amino-N-(4-isopropylthiazol-2-yl)-1H-pyrrole-2-carboxamide 4-amino-N-(4-isopropylthiazol-2-…
| 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) | 1.73 | 2.26 | -9.51 | 4 | 5 | 0 | 84 | 250.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | -1.13 | -48.91 | 2 | 5 | -1 | 87 | 249.319 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 0.42 | -54.48 | 4 | 5 | 1 | 82 | 251.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | -1.32 | -69.65 | 3 | 5 | 0 | 88 | 250.327 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
