In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 14 | 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) | 1.23 | 4.71 | -34.54 | 2 | 2 | 1 | 16 | 189.282 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.23 | 3.65 | -39.21 | 2 | 2 | 1 | 20 | 189.282 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.23 | 2.21 | -2.7 | 1 | 2 | 0 | 15 | 188.274 | 1 | ↓ |