In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2006 | 19 | 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) | 3.81 | 4.31 | -7.11 | 1 | 4 | 0 | 59 | 361.648 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.81 | 4.38 | -33.56 | 0 | 4 | -1 | 61 | 360.64 | 3 | ↓ |