In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 21 | Yes |
Popular Name: 1-prop-2-ynyl-N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine 1-prop-2-ynyl-N-(4-pyrrolidin-1-…
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) | 3.55 | 9.42 | -37.92 | 2 | 3 | 1 | 20 | 284.427 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.55 | 7.14 | -4.37 | 1 | 3 | 0 | 19 | 283.419 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.