UCSF

ZINC14521782

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.39 11.69 -43.63 2 7 1 67 435.527 4
Mid Mid (pH 6-8) 3.39 9.34 -10.61 1 7 0 66 434.519 4

Activity (Go SEA)

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