UCSF

ZINC37400070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 1.57 6.12 -33.84 2 4 1 43 277.388 5
Lo Low (pH 4.5-6) 1.57 5.36 -45.17 2 4 1 46 277.388 5

Activity (Go SEA)

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