UCSF

ZINC13476969

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 24 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) 4.99 5.52 -8.41 2 5 0 75 340.404 4
Hi High (pH 8-9.5) 4.50 6.27 -100.98 0 5 -2 76 338.388 5
Hi High (pH 8-9.5) 4.99 6.29 -44.17 1 5 -1 78 339.396 4

Activity (Go SEA)

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