In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2011 | 16 | Yes |
Popular Name: [3-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]methanamine [3-chloro-4-(1-methyltetrazol-5-…
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) | 1.56 | 3.2 | -57.99 | 3 | 5 | 1 | 71 | 256.742 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 2.79 | -10.42 | 2 | 5 | 0 | 70 | 255.734 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.