In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2005 | 25 | 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) | 3.36 | 12.43 | -41.71 | 1 | 5 | 1 | 46 | 332.431 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.36 | 10.08 | -8.24 | 0 | 5 | 0 | 45 | 331.423 | 3 | ↓ |