In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2006 | 32 | 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) | 1.52 | 9.13 | -58.75 | 1 | 10 | -1 | 140 | 439.4 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.98 | 7.6 | -100.8 | 0 | 10 | -2 | 143 | 438.392 | 9 | ↓ |