| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 17 | No |
Popular Name: 4-nitro-2-[(E)-[(4S)-4H-triazol-4-yl]iminomethyl]phenol 4-nitro-2-[(E)-[(4S)-4H-triazol-…
| 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) | 1.20 | 0.37 | -38 | 0 | 8 | -1 | 118 | 232.179 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | -0.4 | -15 | 1 | 8 | 0 | 116 | 233.187 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
