UCSF

ZINC35664514

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 36 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) 3.41 8.31 -13.27 1 10 0 105 496.564 9
Mid Mid (pH 6-8) 3.41 10.29 -47.76 2 10 1 106 497.572 9

Activity (Go SEA)

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