UCSF

ZINC42187696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) 3.37 8.34 -7.15 1 3 0 38 227.311 2
Lo Low (pH 4.5-6) 3.37 8.81 -26.88 2 3 1 39 228.319 2

Activity (Go SEA)

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