UCSF

ZINC08063553

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 26 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) 4.72 11.76 -33.85 2 4 1 46 342.422 4
Mid Mid (pH 6-8) 4.72 11.43 -15.59 1 4 0 45 341.414 4

Activity (Go SEA)

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