UCSF

ZINC20927477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 17 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) 3.28 5.78 -50.79 2 3 1 35 368.089 7
Hi High (pH 8-9.5) 3.28 4.37 -4.83 1 3 0 30 367.081 7

Activity (Go SEA)

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