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) | 1.87 | 3.86 | -7.72 | 1 | 4 | 0 | 49 | 221.304 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.87 | 3.97 | -25.64 | 2 | 4 | 1 | 50 | 222.312 | 3 | ↓ |