UCSF

ZINC39680896

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 30 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) 1.47 7.38 -63.21 3 6 1 79 427.956 4
Lo Low (pH 4.5-6) 1.47 7.84 -118.79 4 6 2 80 428.964 4

Activity (Go SEA)

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