UCSF

ZINC19276924

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) -0.42 2.99 -35.44 3 4 1 43 262.377 2
Hi High (pH 8-9.5) -0.42 1.19 -47.43 3 4 1 43 262.377 2
Hi High (pH 8-9.5) -0.42 0.62 -3.74 2 4 0 42 261.369 2
Mid Mid (pH 6-8) -0.42 3.01 -33.89 3 4 1 43 262.377 2

Activity (Go SEA)

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