UCSF

ZINC61701516

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 17 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) 2.93 6.47 -5.2 2 3 0 42 230.311 4
Lo Low (pH 4.5-6) 2.93 6.77 -20.04 3 3 0 44 231.319 4

Activity (Go SEA)

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

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