UCSF

ZINC07050930

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 27 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) 4.07 5.27 -9.99 1 6 0 74 405.394 9
Mid Mid (pH 6-8) 4.07 5.29 -41.07 0 6 -1 76 404.386 9

Activity (Go SEA)

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