In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 16 | 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) | 1.89 | 2.76 | -6.14 | 1 | 4 | 0 | 50 | 241.674 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.89 | 3.43 | -47.53 | 0 | 4 | -1 | 53 | 240.666 | 1 | ↓ |