UCSF

ZINC39113442

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) 1.19 2.94 -34.29 2 2 1 20 155.265 2
Lo Low (pH 4.5-6) 1.19 5.22 -107.89 3 2 2 21 156.273 2

Activity (Go SEA)

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