In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2007 | 32 | 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) | -5.66 | -18.32 | -437.77 | 20 | 14 | 5 | 276 | 472.56 | 6 | ↓ |
Hi High (pH 8-9.5) | -5.66 | -19.27 | -127.58 | 17 | 14 | 2 | 271 | 469.536 | 6 | ↓ |
Hi High (pH 8-9.5) | -5.66 | -19.6 | -100.03 | 17 | 14 | 2 | 271 | 469.536 | 6 | ↓ |
Mid Mid (pH 6-8) | -5.66 | -18.8 | -321.8 | 19 | 14 | 4 | 275 | 471.552 | 6 | ↓ |