UCSF

ZINC04888619

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 27 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) 3.72 5.12 -16.37 2 7 0 98 402.501 5
Hi High (pH 8-9.5) 2.79 4.82 -45.56 1 7 -1 97 401.493 6

Activity (Go SEA)

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