UCSF

ZINC43252452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 1.04 1.17 -47.54 4 4 1 60 262.786 5
Hi High (pH 8-9.5) 1.04 0.27 -8.88 3 4 0 58 261.778 5

Activity (Go SEA)

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