In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 20 | 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) | 3.92 | 8.18 | -41.49 | 2 | 2 | 1 | 20 | 275.322 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.92 | 6.74 | -4.36 | 1 | 2 | 0 | 15 | 274.314 | 3 | ↓ |