UCSF

ZINC39640156

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 26 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) 5.25 11.98 -10.43 1 4 0 47 367.518 6
Lo Low (pH 4.5-6) 5.25 12.43 -32.78 2 4 1 48 368.526 6

Activity (Go SEA)

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