In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2010 | 27 | 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) | -1.77 | -6.84 | -66.9 | 5 | 12 | 0 | 160 | 381.393 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.77 | -9.2 | -50.76 | 4 | 12 | -1 | 158 | 380.385 | 3 | ↓ |
Lo Low (pH 4.5-6) | -1.77 | -6.85 | -51.03 | 6 | 12 | 1 | 162 | 382.401 | 3 | ↓ |