In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 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) | 3.90 | 10.34 | -10.63 | 0 | 5 | 0 | 47 | 335.407 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 10.69 | -25.28 | 1 | 5 | 1 | 49 | 336.415 | 4 | ↓ |