UCSF

ZINC27530944

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 24 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) 3.41 7.75 -32.94 2 4 1 43 409.291 8
Mid Mid (pH 6-8) 3.92 12.18 -52.37 2 5 1 67 400.502 9

Activity (Go SEA)

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