In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 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) | 2.93 | 4.72 | -9.47 | 1 | 3 | 0 | 41 | 227.691 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.93 | 5.64 | -49.69 | 0 | 3 | -1 | 43 | 226.683 | 3 | ↓ |