UCSF

ZINC13741809

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 20 No

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) 3.27 8.75 -15.38 3 4 0 53 294.468 9
Mid Mid (pH 6-8) 3.27 9.22 -43.82 4 4 1 54 295.476 9

Activity (Go SEA)

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