UCSF

ZINC13208319

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 15 No

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) 0.21 5.33 -20.43 1 5 0 90 201.185 2
Lo Low (pH 4.5-6) 0.20 5.48 -41.57 1 5 1 88 202.193 3

Activity (Go SEA)

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

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