In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 33 | 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) | 2.37 | 7.18 | -11.63 | 0 | 6 | 0 | 45 | 459.537 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.37 | 9.44 | -42.69 | 1 | 6 | 1 | 46 | 460.545 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.37 | 11.71 | -115.08 | 2 | 6 | 2 | 48 | 461.553 | 8 | ↓ |