In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 21 | No |
Popular Name: (1S)-N-[(2-chloro-5-nitro-phenyl)methyl]indan-1-amine (1S)-N-[(2-chloro-5-nitro-phenyl…
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) | 3.91 | 10.32 | -45.7 | 2 | 4 | 1 | 62 | 303.769 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.91 | 9.15 | -5.18 | 1 | 4 | 0 | 58 | 302.761 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.