UCSF

ZINC39332877

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 3.44 9.82 -46.54 2 1 1 17 262.376 0
Hi High (pH 8-9.5) 3.44 8.49 -4.32 1 1 0 12 261.368 0

Activity (Go SEA)

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