UCSF

ZINC18105836

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 21 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) 2.73 6.26 -25.45 3 4 1 72 281.335 0
Mid Mid (pH 6-8) 3.54 7.81 -10.39 2 4 0 69 280.327 0
Mid Mid (pH 6-8) 3.54 8.22 -30.83 3 4 1 70 281.335 0

Activity (Go SEA)

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

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