In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 31st, 2009 | 35 | 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) | -3.51 | 1.35 | -196.6 | 4 | 15 | -3 | 254 | 499.453 | 16 | ↓ |
Lo Low (pH 4.5-6) | -3.51 | 0.22 | -130.44 | 5 | 15 | -2 | 251 | 500.461 | 16 | ↓ |