UCSF

ZINC39338594

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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 11.01 -41.43 1 3 1 23 346.878 3
Hi High (pH 8-9.5) 4.38 10.59 -6.25 0 3 0 22 345.87 3

Activity (Go SEA)

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