UCSF

ZINC53650084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 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) 1.17 5.44 -119.2 3 4 2 34 271.449 7
Mid Mid (pH 6-8) 1.17 3.65 -37.32 2 4 1 32 270.441 7
Lo Low (pH 4.5-6) 1.17 5.91 -99.4 3 4 2 34 271.449 7

Activity (Go SEA)

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

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