UCSF

ZINC42407746

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 14 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) 2.12 6.34 -51.31 2 4 1 62 213.282 5
Hi High (pH 8-9.5) 2.12 4.91 -5.63 1 4 0 58 212.274 5

Activity (Go SEA)

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