In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 22 | 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) | 3.16 | 3.9 | -7.93 | 1 | 4 | 0 | 42 | 299.37 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.16 | 6.2 | -40.94 | 2 | 4 | 1 | 43 | 300.378 | 5 | ↓ |