In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2011 | 18 | Yes |
Popular Name: N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]propan-2-amine N-[[(2S,3S)-4-methyl-3-(1-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) | 0.59 | 2.58 | -35.91 | 2 | 5 | 1 | 47 | 253.37 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.59 | 1.39 | -5.62 | 1 | 5 | 0 | 42 | 252.362 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.59 | 4.84 | -96.04 | 3 | 5 | 2 | 48 | 254.378 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.