In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2009 | 17 | 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) | 2.80 | 8.16 | -38.19 | 1 | 3 | 1 | 37 | 233.335 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 6.36 | -5.54 | 0 | 3 | 0 | 36 | 232.327 | 6 | ↓ |