In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 20 | 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) | 2.91 | 6.5 | -32.18 | 4 | 3 | 1 | 51 | 271.384 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.91 | 4.23 | -3.53 | 3 | 3 | 0 | 49 | 270.376 | 5 | ↓ |