In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 32 | 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) | 3.04 | 6.63 | -39.43 | 2 | 7 | 0 | 91 | 454.596 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 9.01 | -75.53 | 3 | 7 | 1 | 92 | 455.604 | 7 | ↓ |