UCSF

ZINC34665204

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 2.32 8.39 -82.26 3 3 2 24 249.402 3
Hi High (pH 8-9.5) 2.32 6.39 -36.31 2 3 1 23 248.394 3

Activity (Go SEA)

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