UCSF

ZINC04155336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 25 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) 3.96 0.83 -11.51 1 6 0 64 404.264 7
Mid Mid (pH 6-8) 3.96 1.13 -27.83 2 6 1 66 405.272 7

Activity (Go SEA)

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