| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 20 | Yes |
| 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) | 1.71 | 3.14 | -35.13 | 3 | 5 | 1 | 72 | 267.312 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 3.05 | -32.47 | 3 | 5 | 1 | 72 | 267.312 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 2.97 | -14.96 | 2 | 5 | 0 | 71 | 266.304 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.71 | 3.6 | -78.18 | 4 | 5 | 2 | 73 | 268.32 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
