UCSF

ZINC25782238

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 30 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) 3.45 6.33 -102.54 2 10 -2 165 424.442 6
Lo Low (pH 4.5-6) 3.45 6.62 -53.1 3 10 -1 163 425.45 6

Activity (Go SEA)

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