In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 16 | 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) | 0.34 | 0.86 | -51.16 | 4 | 4 | 1 | 63 | 222.312 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.34 | -0.51 | -8.3 | 3 | 4 | 0 | 58 | 221.304 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.35 | 1.95 | -45.66 | 4 | 4 | 1 | 60 | 222.312 | 6 | ↓ |