In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2008 | 33 | 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) | 1.57 | 4.08 | -58.44 | 2 | 10 | 1 | 127 | 498.603 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.57 | 4.62 | -51.15 | 1 | 10 | 0 | 130 | 497.595 | 9 | ↓ |