In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 21 | 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) | 3.00 | 7.59 | -38.59 | 2 | 4 | 1 | 42 | 308.471 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 6.25 | -6.23 | 1 | 4 | 0 | 37 | 307.463 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 7.17 | -89 | 3 | 4 | 2 | 43 | 309.479 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.