In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 21 | 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) | 2.21 | 4.88 | -53.27 | 1 | 6 | -1 | 99 | 282.231 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 5.65 | -84.57 | 0 | 6 | -2 | 102 | 281.223 | 2 | ↓ |