UCSF

ZINC43387593

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) 2.65 5.76 -7.93 1 3 0 46 236.221 1
Hi High (pH 8-9.5) 3.10 3.92 -44.56 0 3 -1 49 235.213 1

Activity (Go SEA)

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