UCSF

ZINC05587276

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 13 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) 2.48 5.4 -5.44 0 2 0 37 174.247 1
Lo Low (pH 4.5-6) 2.48 5.68 -39.41 1 2 1 38 175.255 1

Activity (Go SEA)

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