UCSF

ZINC43474221

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) 3.22 4.38 -11.23 2 6 0 87 292.266 5
Hi High (pH 8-9.5) 3.22 5.13 -41.72 1 6 -1 90 291.258 5

Activity (Go SEA)

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