UCSF

ZINC08439871

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 30 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) 4.36 1.12 -9.85 0 8 0 77 465.311 2
Mid Mid (pH 6-8) 4.36 1.25 -32.13 1 8 1 78 466.319 2

Activity (Go SEA)

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