UCSF

ZINC36937052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 2.77 4.96 -6.81 2 3 0 52 232.258 2
Lo Low (pH 4.5-6) 2.77 4.89 -28.73 3 3 1 53 233.266 2

Activity (Go SEA)

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