In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 30 | No |
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) | 3.56 | 8.8 | -59.88 | 0 | 6 | -1 | 79 | 471.327 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.56 | 8.04 | -14.85 | 1 | 6 | 0 | 76 | 472.335 | 6 | ↓ |