In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 21 | 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) | 3.12 | 4.27 | -6.02 | 2 | 4 | 0 | 48 | 290.407 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.12 | 6.59 | -33.55 | 3 | 4 | 1 | 49 | 291.415 | 3 | ↓ |