UCSF

ZINC69125184

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 24 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) 3.14 6.78 -15.51 1 6 0 62 373.906 8
Lo Low (pH 4.5-6) 3.14 8.99 -54.81 2 6 1 63 374.914 8

Activity (Go SEA)

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

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