UCSF

ZINC20024837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 27 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) 5.98 12.02 -52.66 1 4 -1 69 373.819 4
Lo Low (pH 4.5-6) 5.98 12.4 -64.45 2 4 0 70 374.827 4

Activity (Go SEA)

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