UCSF

ZINC05338214

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 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) 0.62 1.19 -11.02 1 5 0 67 215.212 0
Lo Low (pH 4.5-6) 0.62 1.48 -46.04 2 5 1 69 216.22 0

Activity (Go SEA)

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

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