UCSF

ZINC39807578

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 26 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) -4.73 -0.41 -126.02 9 10 1 188 372.446 11
Hi High (pH 8-9.5) -4.73 -0.71 -94.17 8 10 0 186 371.438 11

Activity (Go SEA)

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