UCSF

ZINC87493012

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 23 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) 5.18 3.72 -9.73 3 4 0 74 310.349 3
Hi High (pH 8-9.5) 5.18 4.48 -48.99 2 4 -1 77 309.341 3

Activity (Go SEA)

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

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