In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2008 | 33 | Yes |
None
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) | 4.17 | 8.85 | -51.95 | 1 | 6 | 1 | 56 | 461.46 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.17 | 5.93 | -8.51 | 0 | 6 | 0 | 55 | 460.452 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.17 | 8.27 | -49.26 | 1 | 6 | 1 | 56 | 461.46 | 5 | ↓ |