UCSF

ZINC52379354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.05 5.29 -90.45 3 4 2 37 253.39 5
Mid Mid (pH 6-8) 1.05 2.93 -33.69 2 4 1 36 252.382 5
Mid Mid (pH 6-8) 1.05 5.38 -104.75 3 4 2 37 253.39 5

Activity (Go SEA)

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

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