UCSF

ZINC36670121

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 18 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) -0.11 0.46 -11.42 3 5 0 83 249.314 7
Mid Mid (pH 6-8) -0.11 2.87 -54.62 4 5 1 84 250.322 7

Activity (Go SEA)

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