In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 24 | Yes |
Popular Name: 2-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]chromen-4-one 2-[4-[(2S)-2-hydroxybutyl]pipera…
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) | 1.62 | 3.49 | -12.5 | 1 | 6 | 0 | 74 | 330.384 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.62 | 5.7 | -54.31 | 2 | 6 | 1 | 75 | 331.392 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.