UCSF

ZINC48953808

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 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) 0.19 5.07 -33.87 3 3 1 40 261.389 4
Mid Mid (pH 6-8) 0.19 4.81 -4.17 2 3 0 38 260.381 4
Mid Mid (pH 6-8) 0.19 6.89 -115.12 4 3 2 41 262.397 4

Activity (Go SEA)

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

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