In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 32 | 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) | 1.16 | 4.7 | -53.37 | 3 | 7 | 1 | 78 | 467.993 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 7.12 | -107.95 | 4 | 7 | 2 | 80 | 469.001 | 4 | ↓ |