UCSF

ZINC20929452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 19 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) 2.43 3.99 -38.28 3 4 1 55 333.246 10
Hi High (pH 8-9.5) 2.43 2.49 -7.76 2 4 0 51 332.238 10

Activity (Go SEA)

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