In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 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) | 1.52 | 5.27 | -116.44 | 4 | 2 | 2 | 32 | 198.354 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.52 | 3.38 | -39.46 | 3 | 2 | 1 | 31 | 197.346 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.52 | 4.91 | -26.99 | 3 | 2 | 1 | 30 | 197.346 | 1 | ↓ |