In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2010 | 26 | 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) | 1.86 | 6.67 | -62.66 | 4 | 6 | 1 | 100 | 369.47 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 4.44 | -16.53 | 3 | 6 | 0 | 99 | 368.462 | 6 | ↓ |