UCSF

ZINC04243960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.36 2.8 -41.11 2 4 1 44 170.236 5
Mid Mid (pH 6-8) -0.36 3.28 -101.83 3 4 2 45 171.244 5

Activity (Go SEA)

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