UCSF

ZINC42455592

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) -0.54 1.65 -44.75 5 5 1 87 223.3 5
Lo Low (pH 4.5-6) -0.54 1.86 -93.38 6 5 2 88 224.308 5

Activity (Go SEA)

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