UCSF

ZINC13281732

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 12 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) 0.26 2.93 -9.13 0 4 0 39 163.18 2
Mid Mid (pH 6-8) 0.26 3.37 -33.05 1 4 1 41 164.188 2

Activity (Go SEA)

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

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