| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2014 | 30 | Yes |
Popular Name: Phytic acid Phytic acid
| 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) | -5.49 | -9.41 | -461.38 | 7 | 18 | -5 | 359 | 558.996 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.49 | -4.01 | -1728.67 | 2 | 18 | -10 | 373 | 553.956 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.49 | -4.43 | -1694.6 | 2 | 18 | -10 | 373 | 553.956 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.49 | -5.36 | -1417.21 | 3 | 18 | -9 | 371 | 554.964 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.49 | -7.69 | -852.28 | 5 | 18 | -7 | 365 | 556.98 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.49 | -8.86 | -635.1 | 6 | 18 | -6 | 362 | 557.988 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.49 | -6.46 | -1116.74 | 4 | 18 | -8 | 368 | 555.972 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.49 | -6.47 | -1123.96 | 4 | 18 | -8 | 368 | 555.972 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.