UCSF

ZINC22214040

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 0.56 3.94 -51.49 1 6 -1 95 239.251 7
Lo Low (pH 4.5-6) 0.56 2.82 -14.59 2 6 0 92 240.259 7

Activity (Go SEA)

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