UCSF

ZINC42033604

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 20 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) 1.32 5.75 -10.16 1 4 0 45 267.332 2
Lo Low (pH 4.5-6) 1.32 6.15 -37.81 2 4 1 46 268.34 2

Activity (Go SEA)

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

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