UCSF

ZINC50045897

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 17 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) 1.46 7.62 -9.12 0 5 0 66 233.271 5
Lo Low (pH 4.5-6) 1.46 7.83 -43.9 1 5 1 67 234.279 5

Activity (Go SEA)

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