UCSF

ZINC43405329

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 2.03 6.72 -96.58 4 3 2 45 233.359 2
Hi High (pH 8-9.5) 2.03 6.3 -48.44 3 3 1 44 232.351 2

Activity (Go SEA)

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