UCSF

ZINC21639657

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 4.02 10.59 -8.57 1 4 0 41 352.388 4
Lo Low (pH 4.5-6) 4.02 12.92 -44.9 2 4 1 42 353.396 4

Activity (Go SEA)

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