In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 21 | 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) | 2.59 | 3.18 | -108.06 | 0 | 6 | -2 | 106 | 281.223 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.13 | 5.8 | -51.92 | 1 | 6 | -1 | 103 | 282.231 | 3 | ↓ |