UCSF

ZINC37840791

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) 0.86 1.33 -12.71 1 6 0 73 299.396 4
Hi High (pH 8-9.5) 1.32 -0.7 -45.59 0 6 -1 77 298.388 4
Mid Mid (pH 6-8) 0.86 3.29 -53.01 2 6 1 75 300.404 4

Activity (Go SEA)

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