| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 38 | No |
| 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) | 4.30 | 9.44 | -22.99 | 2 | 10 | 0 | 117 | 539.036 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.30 | 11.89 | -55.58 | 3 | 10 | 1 | 118 | 540.044 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.30 | 9.93 | -40.97 | 3 | 10 | 1 | 118 | 540.044 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.30 | 12.04 | -96.44 | 4 | 10 | 2 | 120 | 541.052 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
