In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 29 | 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) | 3.27 | 7.8 | -58.31 | 3 | 7 | -1 | 114 | 395.435 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.27 | 6 | -14.35 | 4 | 7 | 0 | 111 | 396.443 | 6 | ↓ |