UCSF

ZINC43801692

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) -0.43 1.34 -50.91 3 5 1 64 229.3 3
Hi High (pH 8-9.5) -0.43 -0.01 -9.68 2 5 0 60 228.292 3

Activity (Go SEA)

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