UCSF

ZINC23363068

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 24 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) 1.40 4.81 -27.17 2 8 0 104 353.448 8
Hi High (pH 8-9.5) 1.58 3.74 -54.49 1 8 -1 111 352.44 8

Activity (Go SEA)

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

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