In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 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) | 2.60 | 11.16 | -17.98 | 0 | 6 | 0 | 50 | 390.487 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.60 | 11.26 | -39.15 | 1 | 6 | 1 | 51 | 391.495 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 12.62 | -111.8 | 2 | 6 | 2 | 53 | 392.503 | 4 | ↓ |