UCSF

ZINC45339111

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 25 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) -3.37 -5.68 -103.85 11 10 2 186 360.459 11
Hi High (pH 8-9.5) -3.37 -6.01 -61.37 10 10 1 184 359.451 11

Activity (Go SEA)

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