UCSF

ZINC43327689

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 21 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) 2.24 2.5 -54.3 5 5 1 86 287.339 5
Hi High (pH 8-9.5) 2.24 3.49 -89.79 4 5 0 89 286.331 5

Activity (Go SEA)

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