UCSF

ZINC21538151

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 32 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) 5.74 16.52 -7.8 0 4 0 36 429.608 6
Mid Mid (pH 6-8) 3.27 18.35 -16.02 1 4 0 46 429.608 6
Mid Mid (pH 6-8) 5.74 17.46 -32.19 1 4 1 38 430.616 6

Activity (Go SEA)

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

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