UCSF

ZINC39971515

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 25 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) 3.47 10.63 -97.47 2 3 2 12 357.464 6
Mid Mid (pH 6-8) 3.47 8.37 -35.34 1 3 1 11 356.456 6

Activity (Go SEA)

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