UCSF

ZINC43459093

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 Yes

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) 0.22 6.47 -30.25 1 4 0 48 270.279 4
Mid Mid (pH 6-8) 0.22 6.55 -54.49 1 4 0 48 270.279 4
Mid Mid (pH 6-8) 0.22 4.28 -45.26 0 4 -1 47 269.271 4

Activity (Go SEA)

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