In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 27 | 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) | 4.34 | 8.53 | -40.97 | 2 | 3 | 1 | 28 | 403.999 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.34 | 6.29 | -5.01 | 1 | 3 | 0 | 27 | 402.991 | 4 | ↓ |