UCSF

ZINC14538293

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 31 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) 3.84 9.32 -15.41 2 8 0 94 428.533 9
Lo Low (pH 4.5-6) 3.84 9.57 -35.98 3 8 1 96 429.541 9

Activity (Go SEA)

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