In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 19 | 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) | 2.42 | 9.58 | -16.04 | 0 | 3 | 0 | 37 | 263.381 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.16 | 8.44 | -55.37 | 0 | 3 | -1 | 43 | 262.373 | 3 | ↓ |