In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | 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) | 0.62 | 2.12 | -30.13 | 5 | 4 | 1 | 75 | 222.312 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.62 | 3.42 | -4.87 | 4 | 4 | 0 | 73 | 221.304 | 6 | ↓ |