UCSF

ZINC60020363

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 29 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) 7.24 12.41 -4.91 2 2 0 32 389.583 5
Mid Mid (pH 6-8) 7.24 12.69 -38.2 3 2 1 37 390.591 5

Activity (Go SEA)

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

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