In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2008 | 33 | No |
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) | 4.77 | 12.21 | -71.2 | 1 | 6 | 0 | 74 | 491.415 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.22 | 11.1 | -57.83 | 2 | 6 | 1 | 71 | 492.423 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.19 | 12.12 | -57.13 | 1 | 6 | 1 | 68 | 492.423 | 9 | ↓ |