UCSF

ZINC49237613

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 No

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) 0.94 6.52 -37.06 4 6 1 83 291.404 5
Mid Mid (pH 6-8) 0.94 6 -19.46 3 6 0 82 290.396 5
Lo Low (pH 4.5-6) 0.94 6.64 -84.01 5 6 2 84 292.412 5

Activity (Go SEA)

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

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