UCSF

ZINC68893580

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 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) 1.19 3.09 -35.92 2 3 1 29 199.318 4
Lo Low (pH 4.5-6) 1.19 5.04 -115.44 3 3 2 30 200.326 4

Activity (Go SEA)

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

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