UCSF

ZINC21323704

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 28 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) 2.30 7.4 -16.98 1 7 0 85 401.488 9
Mid Mid (pH 6-8) 2.75 8.73 -44.98 1 7 0 89 401.488 9

Activity (Go SEA)

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