UCSF

ZINC42451079

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.57 4.25 -6.09 0 4 0 39 229.32 5
Mid Mid (pH 6-8) 1.57 5.91 -30.7 1 4 1 40 230.328 5

Activity (Go SEA)

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