UCSF

ZINC23069044

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) -0.23 4.12 -99.34 4 5 2 54 295.427 6
Hi High (pH 8-9.5) -0.23 0.98 -5.02 2 5 0 51 293.411 6
Hi High (pH 8-9.5) -0.23 1.81 -42.25 3 5 1 53 294.419 6
Mid Mid (pH 6-8) -0.23 3.37 -31.1 3 5 1 52 294.419 6

Activity (Go SEA)

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