UCSF

ZINC55413177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 27 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) -0.94 8.4 -100.61 3 9 0 129 372.381 6
Mid Mid (pH 6-8) -0.94 7.93 -80.66 2 9 -1 127 371.373 6

Activity (Go SEA)

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

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