UCSF

ZINC49460677

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 17 Yes

Other Names:

MFCD01212848

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) -0.57 2.89 -36.45 2 6 1 74 232.267 4
Mid Mid (pH 6-8) -0.57 2.42 -14.47 1 6 0 73 231.259 4

Activity (Go SEA)

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

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