UCSF

ZINC41536378

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 15 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) 0.00 3.37 -40.79 2 4 1 46 228.341 5
Hi High (pH 8-9.5) 0.00 0.9 -8.11 1 4 0 45 227.333 5

Activity (Go SEA)

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