UCSF

ZINC08857638

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 11.93 -44.87 2 6 1 71 451.587 12
Mid Mid (pH 6-8) 3.78 12.64 -52.99 1 6 1 68 451.587 12

Activity (Go SEA)

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