UCSF

ZINC39378571

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 14 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) 2.41 8.98 -7.3 0 2 0 18 186.258 2
Mid Mid (pH 6-8) 2.41 9.49 -32.63 1 2 1 19 187.266 2

Activity (Go SEA)

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