UCSF

ZINC29753722

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2009 22 Yes

Other Names:

MFCD12025940

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.61 7.78 -37.73 2 6 1 82 310.37 7
Mid Mid (pH 6-8) 3.61 6.46 -7.21 1 6 0 78 309.362 7

Activity (Go SEA)

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

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