UCSF

ZINC27316347

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 23 No

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) 2.06 8.26 -31.15 5 7 1 100 381.671 5
Hi High (pH 8-9.5) 2.19 8.29 -14.81 4 7 0 96 380.663 5

Activity (Go SEA)

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

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