UCSF

ZINC22043234

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 10 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) -0.82 0.54 -90.08 4 3 2 35 147.266 5
Hi High (pH 8-9.5) -0.82 -1.99 -42.73 3 3 1 34 146.258 5

Activity (Go SEA)

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