UCSF

ZINC39354567

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.38 12.96 -154.94 4 6 3 69 498.091 9
Hi High (pH 8-9.5) 4.38 10.92 -75.02 3 6 2 68 497.083 9

Activity (Go SEA)

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