UCSF

ZINC13805255

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 19 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) -0.08 4.17 -75.38 4 5 0 97 270.373 6
Hi High (pH 8-9.5) -0.08 3.89 -54.37 3 5 -1 95 269.365 6

Activity (Go SEA)

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