UCSF

ZINC04157743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 38 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) 7.69 3.76 -20.88 1 7 0 74 515.654 10
Mid Mid (pH 6-8) 7.69 3.94 -35.79 2 7 1 75 516.662 10

Activity (Go SEA)

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