In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2011 | 20 | Yes |
Popular Name: N-[(1R)-1-[3-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-chloro-4-(1-methylt…
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) | 3.37 | 7.31 | -51.13 | 2 | 5 | 1 | 60 | 312.85 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 6.2 | -8.82 | 1 | 5 | 0 | 56 | 311.842 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.