In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 23 | 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) | 2.48 | 6.31 | -46.51 | 2 | 4 | 1 | 38 | 313.421 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 4.89 | -7.88 | 1 | 4 | 0 | 34 | 312.413 | 5 | ↓ |