In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 17th, 2005 | 24 | 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) | 5.76 | 1.01 | -8.22 | 1 | 4 | 0 | 42 | 358.228 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 1.19 | -30.5 | 2 | 4 | 1 | 45 | 359.236 | 3 | ↓ |