| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 18 | Yes |
Popular Name: (1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2H-tetrazol-5-yl)ethanamine (1S)-N-(1,3-benzodioxol-5-ylmeth…
| 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) | 0.76 | 1.91 | -43.38 | 2 | 7 | 0 | 88 | 247.258 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 0.64 | -39.16 | 1 | 7 | -1 | 83 | 246.25 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.76 | 1.91 | -48.73 | 3 | 7 | 1 | 90 | 248.266 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.