In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | 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) | 2.05 | 6.76 | -51.35 | 0 | 5 | -1 | 62 | 252.29 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.05 | 4.78 | -6.34 | 1 | 5 | 0 | 59 | 253.298 | 8 | ↓ |