In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2009 | 16 | 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) | 1.30 | 5.88 | -41.19 | 2 | 3 | 1 | 34 | 219.308 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.30 | 3.64 | -8.07 | 1 | 3 | 0 | 32 | 218.3 | 3 | ↓ |