UCSF

ZINC55325156

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 25 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) 2.78 9.37 -13.6 0 5 0 51 334.423 6
Lo Low (pH 4.5-6) 2.78 9.84 -39.37 1 5 1 52 335.431 6

Activity (Go SEA)

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