| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2008 | 36 | 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) | 5.21 | 14.95 | -102.64 | 0 | 7 | -2 | 113 | 494.528 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.62 | 14.04 | -59.28 | 0 | 7 | -1 | 107 | 495.536 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.21 | 12.76 | -65.08 | 1 | 7 | -1 | 111 | 495.536 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
