In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 21 | 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) | 3.73 | 10.35 | -12.83 | 1 | 3 | 0 | 38 | 379.304 | 1 | ↓ |
Hi High (pH 8-9.5) | 4.18 | 9.03 | -43.1 | 0 | 3 | -1 | 41 | 378.296 | 1 | ↓ |