In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 18 | Yes |
Popular Name: (2R)-1-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-3-pyrazol-1-yl-propan-2-ol (2R)-1-[[(1R,8R)-2,3,5,6,7,8-hex…
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) | 0.07 | 1.08 | -46.45 | 3 | 5 | 1 | 58 | 251.354 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.07 | 0.14 | -8.54 | 2 | 5 | 0 | 53 | 250.346 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.07 | 2.63 | -39 | 3 | 5 | 1 | 55 | 251.354 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.