In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2006 | 23 | 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) | 3.25 | 9.37 | -16.13 | 1 | 4 | 0 | 47 | 307.397 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.25 | 9.76 | -39.13 | 2 | 4 | 1 | 48 | 308.405 | 6 | ↓ |