UCSF

ZINC52038353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 18 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) 2.01 4.99 -33.32 3 3 1 48 271.743 4
Hi High (pH 8-9.5) 2.01 2.73 -9.13 2 3 0 46 270.735 4

Activity (Go SEA)

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

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