In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 31 | 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) | 4.07 | 8.96 | -50.47 | 1 | 8 | 0 | 91 | 421.501 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.07 | 8.35 | -48.93 | 0 | 8 | -1 | 90 | 420.493 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.61 | 10.14 | -50.31 | 2 | 8 | 1 | 88 | 422.509 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.