In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 33 | No |
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) | 2.40 | -3.07 | -55.86 | 3 | 8 | 1 | 100 | 518.384 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.82 | -3.23 | -65.13 | 2 | 8 | 1 | 97 | 518.384 | 7 | ↓ |