UCSF

ZINC06095963

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 20 No

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) -0.23 0.45 -49.22 5 6 1 103 276.316 5
Mid Mid (pH 6-8) -0.60 -2.05 -63.57 4 6 0 109 275.308 5
Mid Mid (pH 6-8) -0.05 -2.13 -62.45 4 6 0 109 275.308 5

Activity (Go SEA)

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