UCSF

ZINC39712277

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 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) 1.74 3.82 -106.31 4 2 2 33 160.305 5
Mid Mid (pH 6-8) 1.74 2.6 -33.62 3 2 1 29 159.297 5
Mid Mid (pH 6-8) 1.74 2.62 -32.27 3 2 1 29 159.297 5

Activity (Go SEA)

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