UCSF

ZINC04156290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 35 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) 5.93 17.27 -28.23 2 7 1 83 480.629 12
Hi High (pH 8-9.5) 5.93 16.78 -15.54 1 7 0 82 479.621 12
Mid Mid (pH 6-8) 5.93 17.26 -91.45 3 7 2 88 481.637 12

Activity (Go SEA)

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