In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 29 | 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 | 9.4 | -13.68 | 0 | 7 | 0 | 63 | 415.563 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 11.77 | -49.67 | 1 | 7 | 1 | 65 | 416.571 | 8 | ↓ |