| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | No |
Popular Name: (2S)-2-but-3-enoxy-N-[5-(3-furyl)-4H-1,2,4-triazol-3-yl]propanamide (2S)-2-but-3-enoxy-N-[5-(3-furyl…
| 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) | 1.40 | 5.28 | -48.32 | 1 | 7 | -1 | 99 | 275.288 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 7.04 | -13.18 | 2 | 7 | 0 | 93 | 276.296 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 6.92 | -55.13 | 1 | 7 | -1 | 91 | 275.288 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
