UCSF

ZINC20744918

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 17 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) -0.91 -2.45 -10.7 1 7 0 80 240.263 4
Mid Mid (pH 6-8) -0.91 -0.1 -50.06 2 7 1 82 241.271 4

Activity (Go SEA)

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