UCSF

ZINC04156912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 6.52 2.02 -14.33 1 4 0 42 378.564 6
Mid Mid (pH 6-8) 6.52 2.23 -26.28 2 4 1 43 379.572 6

Activity (Go SEA)

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