UCSF

ZINC34676259

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 20 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) 1.74 6.22 -95.85 4 3 2 35 275.44 2
Hi High (pH 8-9.5) 1.74 3.77 -44.54 3 3 1 34 274.432 2

Activity (Go SEA)

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