In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2010 | 21 | 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) | 3.93 | 5.75 | -7.71 | 2 | 4 | 0 | 61 | 280.327 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.93 | 5.73 | -27.97 | 3 | 4 | 1 | 63 | 281.335 | 3 | ↓ |