In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 29 | 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) | 4.03 | 10.99 | -17.44 | 1 | 7 | 0 | 82 | 431.587 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.21 | 9.76 | -47.93 | 0 | 7 | -1 | 88 | 430.579 | 10 | ↓ |