UCSF

ZINC68849906

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2011 19 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) 1.09 5.12 -58.06 0 6 -1 76 261.257 2
Lo Low (pH 4.5-6) 1.09 5.61 -50.49 1 6 0 78 262.265 2

Activity (Go SEA)

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

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