UCSF

ZINC41042530

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 13 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) -0.57 -2.32 -47.68 5 4 1 74 186.279 4
Hi High (pH 8-9.5) -0.57 -0.62 -32.25 5 4 1 74 186.279 4
Hi High (pH 8-9.5) -0.82 -2.15 -30.8 4 4 0 77 185.271 4

Activity (Go SEA)

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