UCSF

ZINC37002266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.05 0.71 -54.09 5 5 1 86 236.295 5
Hi High (pH 8-9.5) -0.05 0.31 -16.94 4 5 0 84 235.287 5

Activity (Go SEA)

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