In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 27 | Yes |
Popular Name: LS-111999 LS-111999
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) | 4.41 | 10.7 | -37.14 | 1 | 3 | 1 | 11 | 403.015 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.41 | 8.21 | -3.44 | 0 | 3 | 0 | 10 | 402.007 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.41 | 12.17 | -94.34 | 2 | 3 | 2 | 12 | 404.023 | 4 | ↓ |