UCSF

ZINC39355654

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) 5.47 13.01 -104.46 3 5 2 65 474.004 4
Hi High (pH 8-9.5) 5.47 11.03 -35.04 2 5 1 63 472.996 4

Activity (Go SEA)

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