UCSF

ZINC12112106

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2008 30 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) 4.59 13.44 -14.87 0 5 0 49 404.558 3
Mid Mid (pH 6-8) 4.59 13.76 -33.71 1 5 1 51 405.566 3

Activity (Go SEA)

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