UCSF

ZINC39302673

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 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) 3.29 10.09 -19.01 0 6 0 53 500.437 6
Mid Mid (pH 6-8) 3.29 12.31 -54.75 1 6 1 54 501.445 6

Activity (Go SEA)

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