In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2009 | 18 | 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) | 1.04 | 2 | -53.15 | 5 | 5 | 1 | 82 | 243.29 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 2.45 | -88.18 | 6 | 5 | 2 | 83 | 244.298 | 3 | ↓ |