| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 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) | 3.30 | 8.21 | -45.96 | 2 | 3 | 1 | 29 | 266.368 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 5.93 | -7.85 | 1 | 3 | 0 | 28 | 265.36 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 6.35 | -30.84 | 2 | 3 | 1 | 29 | 266.368 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.30 | 8.63 | -79.85 | 3 | 3 | 2 | 31 | 267.376 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
