In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | 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) | 0.53 | -1.72 | -10.31 | 2 | 5 | 0 | 78 | 257.311 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.53 | -0.95 | -45.32 | 1 | 5 | -1 | 81 | 256.303 | 2 | ↓ |