UCSF

ZINC37791840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.05 4.22 -61.73 2 6 -1 98 283.348 6
Lo Low (pH 4.5-6) 1.05 2.98 -14.54 3 6 0 95 284.356 6

Activity (Go SEA)

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