In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 15th, 2007 | 32 | 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) | 2.88 | 4.78 | -19.41 | 3 | 8 | 0 | 108 | 437.496 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.88 | 5.55 | -59.49 | 2 | 8 | -1 | 111 | 436.488 | 8 | ↓ |