UCSF

ZINC39886147

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 24 No

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) 3.91 5.79 -9.17 2 5 0 75 360.822 3
Mid Mid (pH 6-8) 4.37 4.24 -41.08 1 5 -1 78 359.814 3

Activity (Go SEA)

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