UCSF

ZINC05016691

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 25 No

Download: MOL2 SDF SMILES Flexibase

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) 3.50 8.82 -12.84 1 5 0 53 337.423 5
Ref Reference (pH 7) 3.50 8.83 -12.83 1 5 0 53 337.423 5
Mid Mid (pH 6-8) 3.50 9.59 -23.51 2 5 0 54 338.431 5
Mid Mid (pH 6-8) 3.50 9.58 -23.51 2 5 0 54 338.431 5

Activity (Go SEA)

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