UCSF

ZINC39975052

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 29 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) 5.69 10.08 -8.57 0 4 0 41 477.468 5
Mid Mid (pH 6-8) 5.69 12.31 -50.43 1 4 1 42 478.476 5

Activity (Go SEA)

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