UCSF

ZINC62850574

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 18 Yes

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) 1.55 6.07 -92.61 3 3 2 24 255.45 4
Mid Mid (pH 6-8) 1.55 5.47 -102.41 3 3 2 24 255.45 4
Mid Mid (pH 6-8) 1.55 7.85 -188.69 4 3 3 25 256.458 4

Activity (Go SEA)

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

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