UCSF

ZINC42914901

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) -0.37 -1.33 -49.25 5 4 1 71 243.302 7
Mid Mid (pH 6-8) -0.37 -0.71 -129.53 6 4 2 73 244.31 7
Mid Mid (pH 6-8) -0.37 -0.73 -32.43 5 4 1 71 243.302 7

Activity (Go SEA)

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