UCSF

ZINC42202998

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 23 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) 3.39 6.21 -45.8 2 5 1 54 316.377 6
Hi High (pH 8-9.5) 3.39 5.05 -8.87 1 5 0 49 315.369 6

Activity (Go SEA)

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