UCSF

ZINC65532750

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 15 Yes

Other Names:

MFCD00033145

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) 1.38 2.66 -39 3 3 1 50 229.369 6
Mid Mid (pH 6-8) 1.38 1.4 -6.55 2 3 0 45 228.361 6

Activity (Go SEA)

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

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