UCSF

ZINC67472845

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 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) 0.08 5.62 -55.8 2 9 1 103 370.437 8
Mid Mid (pH 6-8) 0.08 3.57 -15.72 1 9 0 101 369.429 8

Activity (Go SEA)

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

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