In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 35 | 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) | 5.00 | 11.43 | -23.37 | 1 | 8 | 0 | 94 | 492.601 | 8 | ↓ |
Hi High (pH 8-9.5) | 5.19 | 10.36 | -42.58 | 0 | 8 | -1 | 100 | 491.593 | 8 | ↓ |