UCSF

ZINC64979065

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 21 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) 1.14 5.66 -15.93 1 6 0 77 303.343 4
Lo Low (pH 4.5-6) 1.14 6.15 -43.5 2 6 1 78 304.351 4

Activity (Go SEA)

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

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