In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2004 | 21 | 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) | 4.22 | -1.17 | -9.55 | 1 | 3 | 0 | 41 | 361.626 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.22 | -0.87 | -45.07 | 2 | 3 | 1 | 43 | 362.634 | 2 | ↓ |