In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 19 | 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) | 0.87 | 1.91 | -47.38 | 2 | 5 | 1 | 57 | 290.453 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 2.7 | -46.89 | 2 | 5 | 1 | 54 | 290.453 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 0.49 | -9.04 | 1 | 5 | 0 | 53 | 289.445 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.87 | 4.13 | -115.33 | 3 | 5 | 2 | 58 | 291.461 | 5 | ↓ |