UCSF

ZINC26481231

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 1.45 4.44 -36.09 2 3 1 43 160.237 5
Mid Mid (pH 6-8) 1.45 3.19 -3.65 1 3 0 38 159.229 5

Activity (Go SEA)

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