In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 20 | Yes |
Popular Name: (2S)-2-amino-2-phenyl-1-(4-prop-2-ynylpiperazin-1-yl)propan-1-one (2S)-2-amino-2-phenyl-1-(4-prop-…
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) | 1.15 | 3.62 | -7.62 | 2 | 4 | 0 | 50 | 271.364 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.15 | 3.83 | -48.63 | 3 | 4 | 1 | 51 | 272.372 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.