UCSF

ZINC43425655

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.86 3.14 -33.94 4 4 1 64 260.361 3
Lo Low (pH 4.5-6) 0.86 5.39 -85.96 5 4 2 65 261.369 3

Activity (Go SEA)

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