In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 14 | 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) | 2.35 | 6.02 | -113.2 | 4 | 2 | 2 | 32 | 200.37 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.35 | 4.22 | -42.3 | 3 | 2 | 1 | 31 | 199.362 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.35 | 5.95 | -25.71 | 3 | 2 | 1 | 30 | 199.362 | 5 | ↓ |