UCSF

ZINC57469799

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 13 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) 0.37 3.64 -11.6 0 4 0 36 197.263 1
Lo Low (pH 4.5-6) 0.37 4.08 -34.84 1 4 1 38 198.271 1

Activity (Go SEA)

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