UCSF

ZINC42429045

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 20 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) -0.55 1.23 -36.41 4 6 1 80 283.396 5
Hi High (pH 8-9.5) -0.55 -1.19 -14.18 3 6 0 79 282.388 5
Mid Mid (pH 6-8) -0.55 2.73 -94.94 5 6 2 84 284.404 5

Activity (Go SEA)

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