UCSF

ZINC42090657

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 26 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) 2.91 7.88 -13.05 1 7 0 86 364.434 3
Hi High (pH 8-9.5) 2.98 5.99 -43.2 0 7 -1 92 363.426 3

Activity (Go SEA)

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

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