UCSF

ZINC04879941

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 26 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) 3.74 10.85 -14.61 1 5 0 62 370.453 6
Hi High (pH 8-9.5) 3.74 10.65 -52.71 0 5 -1 60 369.445 6

Activity (Go SEA)

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