In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2010 | 14 | 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) | 1.65 | 4.7 | -48.76 | 2 | 3 | 1 | 37 | 199.318 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.65 | 3.47 | -7.31 | 1 | 3 | 0 | 32 | 198.31 | 4 | ↓ |