UCSF

ZINC19680073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) -0.04 1.18 -50.69 3 6 1 83 296.372 2
Hi High (pH 8-9.5) -0.04 -0.02 -14.62 2 6 0 79 295.364 2

Activity (Go SEA)

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