UCSF

ZINC53130841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.45 3.96 -40.69 3 2 1 41 179.287 3
Lo Low (pH 4.5-6) 1.45 4.43 -103.02 4 2 2 42 180.295 3

Activity (Go SEA)

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