UCSF

ZINC14776246

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 22 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) 4.62 11.26 -9.42 0 3 0 35 330.84 5
Lo Low (pH 4.5-6) 4.62 11.71 -33.67 1 3 1 36 331.848 5

Activity (Go SEA)

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