In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2010 | 32 | 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) | 4.34 | 14.69 | -53.47 | 1 | 4 | 1 | 38 | 426.584 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.34 | 15.16 | -102.27 | 2 | 4 | 2 | 39 | 427.592 | 5 | ↓ |