UCSF

ZINC54791113

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 14 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) -0.28 0.03 -51.7 3 5 1 79 188.214 2
Mid Mid (pH 6-8) -0.28 -0.38 -10.18 2 5 0 78 187.206 2

Activity (Go SEA)

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

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