In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2010 | 21 | 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) | 0.12 | 0.76 | -47.89 | 3 | 7 | 1 | 83 | 304.363 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 0.31 | -5.6 | 2 | 7 | 0 | 81 | 303.355 | 4 | ↓ |