UCSF

ZINC65530016

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Other Names:

MFCD00693999

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) 1.77 5.3 -37.4 2 6 1 76 327.474 6
Mid Mid (pH 6-8) 1.77 4.79 -15 1 6 0 75 326.466 6

Activity (Go SEA)

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

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