UCSF

ZINC53342789

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 0.78 3.56 -39.28 2 4 1 42 239.339 9
Mid Mid (pH 6-8) 0.78 4.62 -32.17 2 4 1 39 239.339 9
Mid Mid (pH 6-8) 0.78 5.97 -113.14 3 4 2 43 240.347 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.