UCSF

ZINC37878370

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) 0.94 4.98 -104.43 4 3 2 41 224.348 7
Mid Mid (pH 6-8) 0.94 5.52 -44.32 3 3 1 44 223.34 7

Activity (Go SEA)

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