| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 23 | Yes |
Popular Name: (3S)-1-[4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-3-pyrrol-1-yl-butan-1-one (3S)-1-[4-[(2R)-2-hydroxy-3,3-di…
| 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) | 1.85 | 5.57 | -7.7 | 1 | 5 | 0 | 49 | 321.465 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 7.79 | -47.4 | 2 | 5 | 1 | 50 | 322.473 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
