UCSF

ZINC06458146

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 28 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) 3.22 9.02 -16.79 1 6 0 73 380.423 6
Mid Mid (pH 6-8) 3.22 9.5 -33.45 2 6 1 74 381.431 6

Activity (Go SEA)

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