In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 20 | Yes |
Popular Name: 2-[(4S)-4-[(1-methyltriazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[(1-methyltriazol-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) | -1.10 | 1.46 | -49.44 | 3 | 7 | 1 | 85 | 277.352 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.10 | 0.07 | -16.71 | 2 | 7 | 0 | 81 | 276.344 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.