In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 14 | No |
None
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) | 1.87 | 0.62 | -11.84 | 3 | 4 | 0 | 78 | 196.202 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 1.68 | -54.8 | 2 | 4 | -1 | 81 | 195.194 | 3 | ↓ |