UCSF

ZINC53299277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.60 2.13 -51.93 3 7 1 86 283.352 4
Mid Mid (pH 6-8) -0.60 0.84 -11.98 2 7 0 82 282.344 4

Activity (Go SEA)

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

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