UCSF

ZINC20637275

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 21 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) 1.58 10.7 -14.46 0 7 0 55 283.339 2
Lo Low (pH 4.5-6) 1.58 10.95 -32.98 1 7 1 56 284.347 2
Lo Low (pH 4.5-6) 1.58 13.01 -57.43 1 7 1 56 284.347 2

Activity (Go SEA)

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

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