In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 32 | 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) | 1.72 | 12.91 | -53.68 | 1 | 8 | 1 | 78 | 433.536 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 10.65 | -19.49 | 0 | 8 | 0 | 76 | 432.528 | 4 | ↓ |