UCSF

ZINC26257740

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 30 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) 1.98 10.39 -45.61 2 5 1 44 407.513 4
Hi High (pH 8-9.5) 1.98 7.99 -16.99 1 5 0 43 406.505 4

Activity (Go SEA)

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