UCSF

ZINC15941103

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 34 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) 1.17 7.88 -18.66 0 10 0 106 458.526 7
Lo Low (pH 4.5-6) 1.17 8.28 -50.2 1 10 1 107 459.534 7

Activity (Go SEA)

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

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