In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2011 | 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) | 3.71 | 11.91 | -58.09 | 1 | 4 | 0 | 54 | 289.375 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 9.8 | -60.26 | 0 | 4 | -1 | 53 | 288.367 | 9 | ↓ |