UCSF

ZINC39680820

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 33 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) 0.47 6.09 -64.88 3 8 1 97 453.563 6
Lo Low (pH 4.5-6) 0.47 6.55 -120.71 4 8 2 99 454.571 6

Activity (Go SEA)

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