In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 17 | No |
Popular Name: (4S)-4-amino-1-[(3-nitrophenyl)methyl]pyrrolidin-2-one (4S)-4-amino-1-[(3-nitrophenyl)m…
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) | -0.01 | 4.24 | -67.55 | 3 | 6 | 1 | 94 | 236.251 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.01 | 3.95 | -17.19 | 2 | 6 | 0 | 92 | 235.243 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.