In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2008 | 33 | 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) | 2.71 | 8.03 | -62.15 | 0 | 8 | -1 | 97 | 454.499 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.13 | 8.04 | -16.48 | 0 | 8 | 0 | 91 | 455.507 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.71 | 7.2 | -19.42 | 1 | 8 | 0 | 95 | 455.507 | 10 | ↓ |