UCSF

ZINC68913039

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 15 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) 0.45 4.26 -51.64 2 3 1 37 225.337 1
Mid Mid (pH 6-8) 0.45 2.93 -8.41 1 3 0 32 224.329 1

Activity (Go SEA)

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

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