UCSF

ZINC37819205

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.41 4.93 -95.1 3 6 2 62 284.404 3
Hi High (pH 8-9.5) -0.41 3.67 -43.73 2 6 1 57 283.396 3
Hi High (pH 8-9.5) -0.41 2.54 -48.48 2 6 1 60 283.396 3
Hi High (pH 8-9.5) -0.41 1.27 -10.77 1 6 0 56 282.388 3

Activity (Go SEA)

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