UCSF

ZINC42409921

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) 0.91 5.61 -47.28 2 7 1 102 250.234 4
Hi High (pH 8-9.5) 0.91 4.17 -13.87 1 7 0 97 249.226 4

Activity (Go SEA)

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