In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 23 | 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) | 0.46 | 3.87 | -97.21 | 5 | 5 | 2 | 71 | 309.417 | 0 | ↓ |
Hi High (pH 8-9.5) | 0.46 | 1.19 | -13.11 | 3 | 5 | 0 | 62 | 307.401 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.46 | 2.53 | -40.31 | 4 | 5 | 1 | 66 | 308.409 | 0 | ↓ |