UCSF

ZINC63236330

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 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) 2.89 4.57 -22.5 2 4 1 44 289.399 5
Mid Mid (pH 6-8) 2.89 5.88 -92.09 3 4 2 49 290.407 5

Activity (Go SEA)

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

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