In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 30 | 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) | 2.64 | 4.63 | -49.34 | 2 | 7 | -1 | 124 | 437.534 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 5.69 | -115.75 | 1 | 7 | -2 | 127 | 436.526 | 4 | ↓ |