In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 18 | 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) | 2.81 | 5.72 | -109.63 | 4 | 3 | 2 | 41 | 252.402 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 4.32 | -32.37 | 2 | 3 | 0 | 43 | 250.386 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 4.12 | -32.71 | 3 | 3 | 1 | 37 | 251.394 | 7 | ↓ |