In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2011 | 29 | 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) | 2.27 | 2.98 | -49.45 | 4 | 7 | 1 | 98 | 389.483 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 2.58 | -13.92 | 3 | 7 | 0 | 97 | 388.475 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 3.69 | -90.11 | 5 | 7 | 2 | 100 | 390.491 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 5.34 | -164.63 | 6 | 7 | 3 | 101 | 391.499 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.