UCSF

ZINC69493746

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 25 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) 2.19 8.06 -47.84 0 6 -1 79 342.371 6
Lo Low (pH 4.5-6) 2.19 6.06 -12.84 1 6 0 76 343.379 6

Activity (Go SEA)

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

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