In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 15 | 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) | 2.72 | 6.7 | -40.79 | 2 | 2 | 1 | 16 | 211.304 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.72 | 4.4 | -3.28 | 1 | 2 | 0 | 15 | 210.296 | 6 | ↓ |