In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2009 | 30 | 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) | 3.51 | 13.51 | -41.41 | 1 | 6 | 1 | 53 | 437.515 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 11.25 | -15 | 0 | 6 | 0 | 52 | 436.507 | 7 | ↓ |