UCSF

ZINC08857639

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 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) 4.37 12.32 -50.03 2 6 1 71 451.587 12
Mid Mid (pH 6-8) 3.78 13.01 -58.72 1 6 1 68 451.587 12

Activity (Go SEA)

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