UCSF

ZINC61699776

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 21 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) 5.04 10.42 -45.39 2 2 1 26 304.841 7
Hi High (pH 8-9.5) 5.04 9.24 -5.5 1 2 0 21 303.833 7

Activity (Go SEA)

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

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