UCSF

ZINC40952921

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 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) 5.19 12.71 -44.44 1 3 1 31 338.471 6
Hi High (pH 8-9.5) 5.19 10.49 -8.16 0 3 0 30 337.463 6

Activity (Go SEA)

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