UCSF

ZINC42914327

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 0.55 0.31 -47.57 4 4 1 54 282.383 5
Mid Mid (pH 6-8) 0.55 2.45 -101.37 5 4 2 56 283.391 5
Mid Mid (pH 6-8) 0.55 1.75 -122.6 5 4 2 56 283.391 5

Activity (Go SEA)

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