UCSF

ZINC06309460

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 29 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) 3.05 2.19 -12.53 1 6 0 83 395.386 5
Mid Mid (pH 6-8) 2.47 2.01 -16.46 0 6 0 80 395.386 5

Activity (Go SEA)

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