UCSF

ZINC09560763

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 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) 2.25 0.91 -14.78 3 7 0 104 333.369 4
Hi High (pH 8-9.5) 2.22 1.73 -45.36 2 7 1 103 332.361 4
Hi High (pH 8-9.5) 2.25 1.33 -43.36 2 7 -1 106 332.361 4

Activity (Go SEA)

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

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