In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2005 | 13 | 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) | 2.58 | 5.17 | -9.24 | 1 | 2 | 0 | 37 | 176.215 | 0 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 6.16 | -57.05 | 0 | 2 | -1 | 40 | 175.207 | 0 | ↓ |