UCSF

ZINC06263640

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 29 Yes

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) 4.38 9.45 -52.32 2 6 1 73 396.463 5
Hi High (pH 8-9.5) 4.38 10.02 -36.32 1 6 0 76 395.455 5

Activity (Go SEA)

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