UCSF

ZINC54432554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 16 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) -1.19 -2.88 -34.05 3 10 -1 147 223.176 3
Lo Low (pH 4.5-6) -1.19 -2.88 -7.78 4 10 0 149 224.184 3

Activity (Go SEA)

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

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