In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 17 | 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) | 3.20 | 7.78 | -24.49 | 2 | 3 | 1 | 29 | 234.367 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.20 | 7.43 | -4.42 | 1 | 3 | 0 | 28 | 233.359 | 4 | ↓ |