In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 15 | 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) | 0.83 | 2.99 | -53.64 | 3 | 3 | 1 | 44 | 218.202 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.83 | 2.69 | -7.64 | 2 | 3 | 0 | 42 | 217.194 | 2 | ↓ |