UCSF

ZINC39355660

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 34 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) 5.65 12.92 -98.51 3 5 2 65 494.422 4
Hi High (pH 8-9.5) 5.65 10.91 -29.67 2 5 1 63 493.414 4

Activity (Go SEA)

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