UCSF

ZINC33821133

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 6.88 12.72 -15.83 1 7 0 100 465.918 6
Ref Reference (pH 7) 6.39 12.58 -45.23 0 7 -1 99 464.91 7

Activity (Go SEA)

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