UCSF

ZINC53031770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.31 6.16 -39.5 2 2 1 20 273.853 5
Lo Low (pH 4.5-6) 3.31 8.61 -103.8 3 2 2 21 274.861 5

Activity (Go SEA)

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