UCSF

ZINC43474358

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) -0.06 3.95 -66.58 3 6 1 94 240.214 2
Hi High (pH 8-9.5) -0.06 3.66 -10.78 2 6 0 92 239.206 2

Activity (Go SEA)

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