In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 18 | 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) | 1.58 | 3.99 | -46.72 | 2 | 4 | 1 | 60 | 283.398 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 3.64 | -13.87 | 1 | 4 | 0 | 59 | 282.39 | 2 | ↓ |