In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 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) | 4.80 | 11.71 | -53.98 | 1 | 5 | 1 | 47 | 397.518 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.80 | 9.49 | -10.43 | 0 | 5 | 0 | 45 | 396.51 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.80 | 11.37 | -58.99 | 1 | 5 | 1 | 47 | 397.518 | 8 | ↓ |