UCSF

ZINC40553455

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 25 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) -0.57 2.68 -71.73 4 8 0 125 343.387 4
Hi High (pH 8-9.5) -0.57 0.48 -57.07 3 8 -1 124 342.379 4
Mid Mid (pH 6-8) -1.02 2.89 -44.62 5 8 1 122 344.395 4

Activity (Go SEA)

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