In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2008 | 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) | 4.76 | 9.01 | -35.15 | 2 | 2 | 1 | 26 | 304.2 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.76 | 8.61 | -7.93 | 1 | 2 | 0 | 25 | 303.192 | 3 | ↓ |