UCSF

ZINC20255164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -1.75 0.41 -47.09 1 7 0 91 278.33 3
Hi High (pH 8-9.5) -1.75 1.69 -51.73 0 7 -1 90 277.322 3

Activity (Go SEA)

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