In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2009 | 30 | 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) | 4.94 | 5.68 | -48.75 | 2 | 7 | 0 | 93 | 423.494 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.94 | 5.28 | -50.32 | 1 | 7 | -1 | 92 | 422.486 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.94 | 5.31 | -17.55 | 2 | 7 | 0 | 90 | 423.494 | 6 | ↓ |