UCSF

ZINC33672390

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 39 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) -0.21 16.02 -35.54 2 8 1 97 519.629 5
Lo Low (pH 4.5-6) -0.21 16.46 -95.8 3 8 2 99 520.637 5

Activity (Go SEA)

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