UCSF

ZINC61458126

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 17 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) 1.07 3.19 -102.73 4 5 2 71 240.351 5
Hi High (pH 8-9.5) 1.07 2.93 -41.43 3 5 1 69 239.343 5

Activity (Go SEA)

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

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