UCSF

ZINC43474689

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 2.12 2.07 -47.71 4 4 1 70 271.34 4
Hi High (pH 8-9.5) 2.12 1.67 -9.67 3 4 0 68 270.332 4

Activity (Go SEA)

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