UCSF

ZINC65491503

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 1.05 7.7 -31.83 1 8 0 89 388.431 2
Mid Mid (pH 6-8) 1.05 8.05 -39.28 2 8 1 90 389.439 2

Activity (Go SEA)

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

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