UCSF

ZINC23070792

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 18 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) -0.62 4.06 -103.45 4 4 2 45 251.374 4
Hi High (pH 8-9.5) -0.62 0.78 -4.52 2 4 0 42 249.358 4
Mid Mid (pH 6-8) -0.62 3.18 -34.04 3 4 1 43 250.366 4
Mid Mid (pH 6-8) -0.62 1.6 -45.9 3 4 1 43 250.366 4

Activity (Go SEA)

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