In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 25 | 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) | 3.76 | 12.37 | -39.55 | 1 | 4 | 1 | 40 | 342.459 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.76 | 9.89 | -6.5 | 0 | 4 | 0 | 39 | 341.451 | 10 | ↓ |