UCSF

ZINC54931249

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 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) 3.16 5.96 -24.64 2 3 1 39 206.313 3
Mid Mid (pH 6-8) 3.16 5.83 -7.42 1 3 0 38 205.305 3
Mid Mid (pH 6-8) 3.16 5.99 -24.82 2 3 1 39 206.313 3

Activity (Go SEA)

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

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