In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 15th, 2010 | 20 | No |
Popular Name: N-cyclohexyl-N-(2-hydroxyethyl)-4-nitro-1H-pyrrole-2-carboxamide N-cyclohexyl-N-(2-hydroxyethyl)-…
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) | 1.69 | 4.68 | -33.19 | 1 | 7 | -1 | 100 | 280.304 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.69 | 4.88 | -15.64 | 2 | 7 | 0 | 102 | 281.312 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.