UCSF

ZINC04916790

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 27 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) 2.57 8.29 -29.49 1 7 0 84 386.477 5
Hi High (pH 8-9.5) 2.75 5.93 -67.03 0 7 -1 91 385.469 5

Activity (Go SEA)

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