UCSF

ZINC33756117

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.68 14.45 -45.49 1 4 1 20 402.562 8
Hi High (pH 8-9.5) 5.68 12.25 -6.56 0 4 0 19 401.554 8

Activity (Go SEA)

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