UCSF

ZINC20226084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 22 Yes

Other Names:

MFCD09739960

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) 2.22 6.76 -48.06 3 3 1 34 296.438 4
Lo Low (pH 4.5-6) 2.22 8.72 -126.48 4 3 2 35 297.446 4

Activity (Go SEA)

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