UCSF

ZINC04157231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 29 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) 6.19 0.9 -15.39 1 4 0 38 385.511 6
Mid Mid (pH 6-8) 6.19 1.08 -25 2 4 1 39 386.519 6

Activity (Go SEA)

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