In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2005 | 43 | 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) | 7.09 | 16.93 | -48.43 | 0 | 9 | -1 | 102 | 572.693 | 11 | ↓ |
Mid Mid (pH 6-8) | 7.09 | 17.41 | -47.21 | 1 | 9 | 0 | 103 | 573.701 | 11 | ↓ |
Lo Low (pH 4.5-6) | 7.09 | 17.18 | -55.47 | 1 | 9 | 0 | 103 | 573.701 | 11 | ↓ |
Lo Low (pH 4.5-6) | 7.09 | 17.65 | -98.39 | 2 | 9 | 1 | 104 | 574.709 | 11 | ↓ |