UCSF

ZINC37866092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2009 12 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) 1.43 6.23 -37.94 1 2 1 17 165.26 4
Lo Low (pH 4.5-6) 1.43 6.7 -82.99 2 2 2 19 166.268 4

Activity (Go SEA)

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