UCSF

ZINC42449284

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 No

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) 0.50 4 -47.38 3 3 1 44 243.396 7
Lo Low (pH 4.5-6) 0.50 5.64 -129.49 4 3 2 45 244.404 7

Activity (Go SEA)

Rings

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