In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 18 | Yes |
Popular Name: (4R)-N-[(3-methyl-1H-pyrazol-4-yl)methyl]thiochroman-4-amine (4R)-N-[(3-methyl-1H-pyrazol-4-y…
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) | 1.23 | 6.65 | -48.41 | 3 | 3 | 1 | 45 | 260.386 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.23 | 5.49 | -7.21 | 2 | 3 | 0 | 41 | 259.378 | 3 | ↓ |