In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 12 | 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) | 1.16 | 2.64 | -41.74 | 3 | 2 | 1 | 31 | 171.308 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 4.61 | -25.98 | 3 | 2 | 1 | 30 | 171.308 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 4.65 | -116.86 | 4 | 2 | 2 | 32 | 172.316 | 3 | ↓ |