UCSF

ZINC55042665

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 23 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) 3.49 7.42 -11.22 0 4 0 34 308.429 5
Mid Mid (pH 6-8) 3.49 7.63 -44.01 1 4 1 35 309.437 5
Mid Mid (pH 6-8) 3.49 9.55 -44.13 1 4 1 35 309.437 5

Activity (Go SEA)

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

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