UCSF

ZINC42466192

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.36 6.05 -15.51 0 4 0 47 213.277 4
Hi High (pH 8-9.5) 1.10 4.91 -51.96 0 4 -1 53 212.269 3

Activity (Go SEA)

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