In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 13 | 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) | 1.06 | 1.55 | -49.19 | 4 | 3 | 1 | 57 | 203.624 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.06 | 1.14 | -6.27 | 3 | 3 | 0 | 55 | 202.616 | 2 | ↓ |