In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 14 | 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) | 3.10 | 5.42 | -4.69 | 1 | 2 | 0 | 36 | 253.143 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.10 | 6.53 | -45.69 | 2 | 2 | 1 | 40 | 254.151 | 3 | ↓ |