In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 27 | 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) | 2.48 | 6.86 | -17.06 | 2 | 8 | 0 | 102 | 385.449 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 6.68 | -51.54 | 1 | 8 | -1 | 100 | 384.441 | 8 | ↓ |