UCSF

ZINC65531286

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Other Names:

MFCD00813240

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) -0.58 5.64 -56.48 2 9 1 98 364.426 5
Mid Mid (pH 6-8) -0.58 3.42 -14.43 1 9 0 97 363.418 5

Activity (Go SEA)

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

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