In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 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) | 1.73 | 6.38 | -46.18 | 2 | 2 | 1 | 20 | 263.43 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.73 | 5.86 | -2.75 | 1 | 2 | 0 | 15 | 262.422 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 9.03 | -126.02 | 3 | 2 | 2 | 21 | 264.438 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 7.5 | -35.3 | 2 | 2 | 1 | 16 | 263.43 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.