UCSF

ZINC04926746

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 25 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) 2.87 5.36 -18.43 2 7 0 93 362.455 7
Hi High (pH 8-9.5) 3.06 3.71 -47.19 1 7 -1 100 361.447 7

Activity (Go SEA)

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