In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 28 | 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) | 3.74 | 4.34 | -47.62 | 2 | 6 | -1 | 98 | 396.423 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 6.29 | -12.96 | 3 | 6 | 0 | 95 | 397.431 | 4 | ↓ |