UCSF

ZINC23043159

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 35 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) 4.17 10.74 -53.38 3 8 1 86 477.585 9
Hi High (pH 8-9.5) 4.17 8.5 -16.17 2 8 0 85 476.577 9

Activity (Go SEA)

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

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