UCSF

ZINC36804908

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 15 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) 1.67 5.42 -35.02 2 3 1 34 218.271 5
Hi High (pH 8-9.5) 1.67 4.36 -5.8 1 3 0 30 217.263 5

Activity (Go SEA)

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