UCSF

ZINC43394778

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 1.60 4.01 -35.15 4 3 1 60 219.308 4
Hi High (pH 8-9.5) 1.60 3.04 -6.68 3 3 0 55 218.3 4

Activity (Go SEA)

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