In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 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) | 3.63 | 6.58 | -36.12 | 2 | 3 | 1 | 29 | 281.464 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.63 | 8.26 | -110.28 | 3 | 3 | 2 | 30 | 282.472 | 4 | ↓ |