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) | 0.92 | 2.14 | -50.83 | 4 | 4 | 1 | 66 | 204.253 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 1.71 | -7.7 | 3 | 4 | 0 | 64 | 203.245 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 1.74 | -10.89 | 3 | 4 | 0 | 64 | 203.245 | 3 | ↓ |