UCSF

ZINC20890078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 32 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) 2.67 9.93 -24.86 1 8 0 97 468.97 5
Hi High (pH 8-9.5) 3.12 7.71 -54.46 0 8 -1 100 467.962 5

Activity (Go SEA)

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

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