UCSF

ZINC52046499

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) -1.35 9.57 -24.85 3 3 1 41 232.351 2
Mid Mid (pH 6-8) 2.84 9.21 -5.78 2 3 0 42 231.343 2

Activity (Go SEA)

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

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