UCSF

ZINC40285494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 14 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) 2.73 4.69 -7.75 1 3 0 46 256.099 2
Hi High (pH 8-9.5) 3.18 2.06 -44.69 0 3 -1 49 255.091 2

Activity (Go SEA)

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