UCSF

ZINC63012794

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 2.30 6.82 -38.02 4 4 1 64 302.785 2
Mid Mid (pH 6-8) 2.30 7.73 -4.32 3 4 0 62 301.777 2

Activity (Go SEA)

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

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