UCSF

ZINC04439781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2005 21 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) 2.67 -5.49 -14.55 2 5 0 75 324.427 6
Hi High (pH 8-9.5) 2.67 -5.07 -54.43 1 5 -1 77 323.419 6

Activity (Go SEA)

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