In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 31 | 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) | 3.15 | 2.95 | -15.1 | 3 | 8 | 0 | 100 | 473.401 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 4.91 | -51.6 | 4 | 8 | 1 | 101 | 474.409 | 10 | ↓ |