In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 36 | No |
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) | 3.52 | 8.2 | -58.86 | 0 | 8 | -1 | 91 | 493.58 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.93 | 10.3 | -50.28 | 1 | 8 | 1 | 87 | 495.596 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.96 | 10.33 | -47.76 | 2 | 8 | 1 | 90 | 495.596 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.52 | 10.53 | -78.34 | 1 | 8 | 0 | 93 | 494.588 | 11 | ↓ |