UCSF

ZINC23428145

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 30 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) 5.42 11.16 -8.62 0 4 0 41 440.996 5
Mid Mid (pH 6-8) 5.42 12.75 -45.77 1 4 1 42 442.004 5

Activity (Go SEA)

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