UCSF

ZINC04140113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 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) 4.25 -1.64 -14.96 0 5 0 64 381.472 5
Mid Mid (pH 6-8) 4.25 -1.77 -13.32 0 5 0 64 381.472 5
Mid Mid (pH 6-8) 4.42 -2.83 -11.29 0 5 0 64 381.472 5

Activity (Go SEA)

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