UCSF

ZINC04157678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 35 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) 6.36 15.28 -23.71 1 7 0 74 471.557 8
Mid Mid (pH 6-8) 6.36 14.68 -31.2 2 7 1 75 472.565 8

Activity (Go SEA)

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