In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 29 | 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) | 2.20 | 5.26 | -63.26 | 1 | 7 | -1 | 103 | 396.419 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 4.5 | -17.37 | 2 | 7 | 0 | 100 | 397.427 | 9 | ↓ |