UCSF

ZINC02389576

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 14 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) -0.50 -2.4 -11.65 1 4 0 53 192.218 1
Lo Low (pH 4.5-6) -0.50 -2.29 -40.87 2 4 1 54 193.226 1

Activity (Go SEA)

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

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