UCSF

ZINC15941934

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 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) 3.11 4.42 -13.91 1 7 0 85 390.461 5
Mid Mid (pH 6-8) 3.11 4.54 -48.77 0 7 -1 87 389.453 5

Activity (Go SEA)

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

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