UCSF

ZINC54897582

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 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) 1.40 6.31 -50.29 3 4 1 53 290.412 3
Mid Mid (pH 6-8) 1.40 5.97 -9.13 2 4 0 51 289.404 3
Lo Low (pH 4.5-6) 1.40 6.37 -93.81 4 4 2 54 291.42 3

Activity (Go SEA)

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

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