In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 31 | 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) | 5.15 | 9.61 | -118.86 | 6 | 5 | 2 | 75 | 429.649 | 16 | ↓ |
Hi High (pH 8-9.5) | 5.15 | 8.47 | -44.42 | 5 | 5 | 1 | 70 | 428.641 | 16 | ↓ |
Mid Mid (pH 6-8) | 5.15 | 8.75 | -136.61 | 6 | 5 | 2 | 75 | 429.649 | 16 | ↓ |