UCSF

ZINC61327797

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 16 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) 2.63 5.82 -10.91 1 3 0 38 231.324 2
Mid Mid (pH 6-8) 2.63 5.97 -28.36 2 3 1 39 232.332 2
Mid Mid (pH 6-8) 2.63 5.94 -25.08 2 3 1 39 232.332 2

Activity (Go SEA)

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

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