UCSF

ZINC25147651

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 32 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) 0.56 1.4 -27.88 3 10 0 149 478.552 5
Hi High (pH 8-9.5) 1.46 0.34 -55.24 2 10 -1 152 477.544 5

Activity (Go SEA)

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