UCSF

ZINC76053448

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2012 21 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) 0.41 1.25 -25.12 0 6 0 67 318.439 5
Mid Mid (pH 6-8) 0.41 3.46 -56.03 1 6 1 68 319.447 5

Activity (Go SEA)

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

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