In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 25 | Yes |
Popular Name: (3S)-1-[2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethyl]piperidin-3-ol (3S)-1-[2-[(5-phenyl-6,7-dihydro…
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) | 2.62 | 8.28 | -38.32 | 3 | 6 | 1 | 66 | 340.451 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.62 | 8.68 | -94.02 | 4 | 6 | 2 | 67 | 341.459 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.