In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 23rd, 2009 | 34 | 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) | 2.26 | 12.67 | -102.92 | 1 | 7 | 0 | 83 | 464.472 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 10.29 | -61.66 | 0 | 7 | -1 | 82 | 463.464 | 4 | ↓ |
Lo Low (pH 4.5-6) | -1.33 | 11.57 | -97.77 | 2 | 7 | 1 | 86 | 465.48 | 3 | ↓ |