In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 20 | Yes |
Popular Name: 2-[(4S)-4-[(5-iodo-2-furyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[(5-iodo-2-furyl)methy…
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) | 1.21 | 4.29 | -47.17 | 3 | 5 | 1 | 68 | 388.229 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 2.9 | -9.34 | 2 | 5 | 0 | 63 | 387.221 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.