UCSF

ZINC43474619

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 No

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) 3.54 5.86 -33.35 0 6 -1 94 374.167 4
Lo Low (pH 4.5-6) 3.54 5.78 -9.01 1 6 0 92 375.175 4

Activity (Go SEA)

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