UCSF

ZINC00736817

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 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) 3.38 -1.85 -12.47 2 6 0 74 408.546 7
Lo Low (pH 4.5-6) 3.38 -1.74 -47.31 3 6 1 75 409.554 7

Activity (Go SEA)

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