UCSF

ZINC98090814

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 12 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) -0.22 3.31 -59.78 2 4 0 60 172.228 2
Lo Low (pH 4.5-6) -0.22 1.38 -40.06 3 4 1 57 173.236 2

Activity (Go SEA)

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

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