In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 20 | 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) | 3.04 | 9.55 | -80.65 | 3 | 3 | 2 | 21 | 283.504 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.04 | 7.37 | -30.88 | 2 | 3 | 1 | 20 | 282.496 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 6.86 | -125.91 | 3 | 3 | 2 | 24 | 283.504 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 6.86 | -100.87 | 3 | 3 | 2 | 24 | 283.504 | 7 | ↓ |