UCSF

ZINC60702231

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 20 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) 3.78 7.33 -41.77 2 3 1 35 284.395 10
Hi High (pH 8-9.5) 3.78 6 -6.63 1 3 0 30 283.387 10

Activity (Go SEA)

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