UCSF

ZINC44648326

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 2.89 5.14 -40.94 3 3 1 46 261.798 6
Hi High (pH 8-9.5) 2.89 3.79 -5.35 2 3 0 41 260.79 6

Activity (Go SEA)

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