UCSF

ZINC09707496

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 32 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) 4.33 0.88 -9.22 0 8 0 77 448.914 4
Mid Mid (pH 6-8) 4.33 1.16 -39.42 1 8 1 78 449.922 4

Activity (Go SEA)

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