UCSF

ZINC35406662

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 19 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) -0.85 4.5 -41.84 2 7 0 104 282.325 5
Hi High (pH 8-9.5) -0.85 3.43 -60.64 1 7 -1 99 281.317 5

Activity (Go SEA)

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