In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2009 | 29 | Yes |
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) | 1.47 | 9.4 | -58.75 | 2 | 8 | 1 | 89 | 420.559 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 7.18 | -23.44 | 1 | 8 | 0 | 88 | 419.551 | 6 | ↓ |