In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2009 | 25 | 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) | 0.06 | -1.74 | -14.25 | 4 | 9 | 0 | 132 | 343.343 | 3 | ↓ |
Ref Reference (pH 7) | -0.12 | 1.03 | -16.9 | 4 | 9 | 0 | 128 | 343.343 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.25 | -4.65 | -61.93 | 3 | 9 | -1 | 138 | 342.335 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.06 | -1.98 | -70.01 | 3 | 9 | -1 | 135 | 342.335 | 3 | ↓ |