UCSF

ZINC40553289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 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) 2.12 7.55 -22.33 1 6 0 72 321.365 3
Hi High (pH 8-9.5) 2.19 6.05 -56.94 0 6 -1 79 320.357 3

Activity (Go SEA)

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

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