UCSF

ZINC66129459

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 37 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) 3.23 10.84 -56.26 2 10 1 95 505.599 9
Mid Mid (pH 6-8) 3.23 8.61 -23.31 1 10 0 93 504.591 9

Activity (Go SEA)

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

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