UCSF

ZINC37013654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 No

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) 2.75 6.04 -11.07 1 3 0 42 248.713 2
Lo Low (pH 4.5-6) 2.75 6.4 -37.68 2 3 1 43 249.721 2

Activity (Go SEA)

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