UCSF

ZINC34866656

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 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) 6.54 13.71 -47.51 2 3 1 34 456.453 6
Hi High (pH 8-9.5) 6.54 11.49 -5.7 1 3 0 32 455.445 6

Activity (Go SEA)

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