UCSF

ZINC43708644

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 1.78 3.73 -54.78 3 5 1 64 350.62 3
Hi High (pH 8-9.5) 1.78 2.38 -9.11 2 5 0 60 349.612 3

Activity (Go SEA)

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