In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 19 | 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) | 2.12 | 2.48 | -7.18 | 1 | 4 | 0 | 42 | 265.353 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 4.75 | -40.71 | 2 | 4 | 1 | 43 | 266.361 | 6 | ↓ |