UCSF

ZINC41681717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) -0.56 3.12 -98.54 5 5 2 78 301.456 8
Hi High (pH 8-9.5) -0.56 2.82 -43.13 4 5 1 77 300.448 8

Activity (Go SEA)

Rings

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