UCSF

ZINC53532853

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 21 No

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) -0.29 2.96 -82.87 2 6 1 86 308.383 4
Mid Mid (pH 6-8) -0.29 1.81 -20.24 1 6 0 81 307.375 4

Activity (Go SEA)

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

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