UCSF

ZINC39355673

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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 13 -107.63 3 7 2 91 518.013 6
Hi High (pH 8-9.5) 5.19 11.03 -35.4 2 7 1 90 517.005 6

Activity (Go SEA)

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