UCSF

ZINC34960119

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.26 3.71 -61.15 4 4 1 68 249.334 5
Hi High (pH 8-9.5) 1.26 4.66 -95.27 3 4 0 71 248.326 5

Activity (Go SEA)

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