In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2004 | 25 | Yes |
Popular Name: (4-fluorophenyl)-[(S)-(2-methyl-1H-indol-3-yl)-(4-pyridyl)methyl]amine (4-fluorophenyl)-[(S)-(2-methyl-…
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) | 4.22 | 9.73 | -9.18 | 2 | 3 | 0 | 41 | 331.394 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.22 | 10.01 | -39.43 | 3 | 3 | 1 | 42 | 332.402 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.