UCSF

ZINC01052727

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 11 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) -0.55 0.75 -6.55 3 7 0 107 152.117 1
Ref Reference (pH 7) -0.55 0.79 -13.12 3 7 0 107 152.117 1

Activity (Go SEA)

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