In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 23 | Yes |
Popular Name: 2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile 2-[[(2S)-2-(1-methylpyrazol-4-yl…
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) | 1.81 | 10.94 | -43.63 | 1 | 5 | 1 | 50 | 306.393 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.81 | 9.05 | -16.61 | 0 | 5 | 0 | 49 | 305.385 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.