UCSF

ZINC37870127

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) 2.55 3.21 -7.25 3 3 0 55 261.152 5
Mid Mid (pH 6-8) 2.55 3.71 -28.71 4 3 1 60 262.16 5

Activity (Go SEA)

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