UCSF

ZINC06088635

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 24 No

Download: MOL2 SDF SMILES Flexibase

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) 2.35 5.74 -52.8 0 9 -1 133 370.388 8
Mid Mid (pH 6-8) 3.28 6.08 -22.33 1 9 0 134 371.396 7

Activity (Go SEA)

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