UCSF

ZINC39963760

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.19 9.65 -12.37 1 4 0 51 324.355 5
Mid Mid (pH 6-8) 5.19 10.08 -35.33 2 4 1 52 325.363 5

Activity (Go SEA)

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