In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2007 | 20 | Yes |
Popular Name: 6-[(4-chlorophenyl)methyl]-3-(3-hydroxypropylamino)-1,2,4-triazin-5-ol 6-[(4-chlorophenyl)methyl]-3-(3-…
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) | 1.84 | 2.8 | -19.22 | 3 | 6 | 0 | 91 | 294.742 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 2.69 | -41.08 | 2 | 6 | -1 | 94 | 293.734 | 6 | ↓ |