UCSF

ZINC13828371

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 27 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) 3.38 8.33 -41.4 4 6 1 91 405.862 5
Mid Mid (pH 6-8) 3.38 7.34 -19.49 3 6 0 90 404.854 5

Activity (Go SEA)

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