In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 18 | 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) | 3.33 | 4.1 | -8.43 | 2 | 3 | 0 | 53 | 241.29 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 4.46 | -35.96 | 3 | 3 | 1 | 54 | 242.298 | 2 | ↓ |