In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 25 | 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) | 3.63 | 8.7 | -15.23 | 1 | 5 | 0 | 60 | 334.375 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.63 | 9.16 | -43.34 | 2 | 5 | 1 | 62 | 335.383 | 6 | ↓ |