In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 21 | 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) | 3.92 | 9.38 | -124.41 | 4 | 2 | 2 | 32 | 357.311 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.92 | 8.93 | -29.57 | 3 | 2 | 1 | 30 | 356.303 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.92 | 7.26 | -48.4 | 3 | 2 | 1 | 31 | 356.303 | 3 | ↓ |