UCSF

ZINC34629850

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2009 21 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) 2.09 4.98 -46.55 3 4 1 55 288.367 7
Hi High (pH 8-9.5) 2.09 3.77 -8.59 2 4 0 51 287.359 7

Activity (Go SEA)

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