In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2007 | 32 | No |
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) | 1.52 | 2.17 | -53.61 | 2 | 9 | 1 | 102 | 445.492 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.93 | 2.16 | -63.26 | 1 | 9 | 1 | 99 | 445.492 | 9 | ↓ |