In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 15 | 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) | -0.19 | 2.29 | -93.13 | 5 | 4 | 2 | 61 | 213.325 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.00 | 0.66 | -63.9 | 4 | 4 | 1 | 67 | 212.317 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.19 | 1.95 | -37.3 | 4 | 4 | 1 | 60 | 212.317 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.00 | 0.22 | -47.16 | 3 | 4 | 0 | 66 | 211.309 | 3 | ↓ |