In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 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) | 3.40 | 6.23 | -15.51 | 2 | 8 | 0 | 97 | 457.914 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 6.6 | -16.28 | 2 | 8 | 0 | 97 | 457.914 | 8 | ↓ |