UCSF

ZINC43445248

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) -1.11 -2.96 -42.64 4 4 1 60 189.279 5
Lo Low (pH 4.5-6) -1.11 -0.7 -103.43 5 4 2 62 190.287 5

Activity (Go SEA)

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