In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 33 | 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) | 6.75 | 14.44 | -7.95 | 1 | 4 | 0 | 47 | 439.603 | 5 | ↓ |
Lo Low (pH 4.5-6) | 6.75 | 14.76 | -31.17 | 2 | 4 | 1 | 48 | 440.611 | 5 | ↓ |