UCSF

ZINC53399898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.90 5.44 -32.86 1 4 1 26 265.377 7
Mid Mid (pH 6-8) 1.90 5.34 -35.37 1 4 1 26 265.377 7
Mid Mid (pH 6-8) 1.90 3.1 -5.36 0 4 0 25 264.369 7

Activity (Go SEA)

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

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