In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | 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) | 0.55 | 6.04 | -36.59 | 3 | 4 | 1 | 49 | 279.404 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.55 | 6.37 | -127.17 | 4 | 4 | 2 | 51 | 280.412 | 6 | ↓ |