In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 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) | 2.61 | 6.4 | -103.49 | 4 | 2 | 2 | 32 | 202.386 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 6.01 | -33.05 | 3 | 2 | 1 | 30 | 201.378 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 4.35 | -40.7 | 3 | 2 | 1 | 31 | 201.378 | 9 | ↓ |