UCSF

ZINC20225304

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 14 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) 0.37 -0.26 -45.62 4 3 1 51 215.342 6
Hi High (pH 8-9.5) 0.37 -0.92 -3.72 3 3 0 49 214.334 6
Mid Mid (pH 6-8) 0.37 1.22 -28.46 4 3 1 51 215.342 6

Activity (Go SEA)

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