UCSF

ZINC25256389

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 22 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) 2.03 6.34 -18.71 1 6 0 78 320.37 6
Hi High (pH 8-9.5) 2.21 5.28 -41.56 0 6 -1 84 319.362 6

Activity (Go SEA)

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