UCSF

ZINC83436345

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2013 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) 1.25 1.87 -5.88 1 4 0 51 210.277 4
Lo Low (pH 4.5-6) 1.25 3.11 -41.86 2 4 1 55 211.285 4

Activity (Go SEA)

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

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