In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2011 | 21 | No |
Popular Name: 2-[(2S)-1-(2-chloro-4-nitro-phenyl)-3-oxo-piperazin-2-yl]acetic 2-[(2S)-1-(2-chloro-4-nitro-phen…
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) | 1.08 | 5.71 | -46.04 | 1 | 8 | -1 | 118 | 312.689 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.08 | 3.71 | -11.85 | 2 | 8 | 0 | 115 | 313.697 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.