| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2008 | 29 | No |
Popular Name: N-[(2S,3Z)-1,4-dioxo-3-[(1S)-1-phenylethyl]imino-tetralin-2-yl]thiophene-2-carboxamide N-[(2S,3Z)-1,4-dioxo-3-[(1S)-1-p…
| 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) | 3.40 | 8.46 | -12.8 | 1 | 5 | 0 | 76 | 402.475 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 6.07 | -59 | 0 | 5 | -1 | 82 | 401.467 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 5.99 | -56.23 | 0 | 5 | -1 | 82 | 401.467 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 8.32 | -13.32 | 1 | 5 | 0 | 76 | 402.475 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
