UCSF

ZINC31934921

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 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) 2.25 9.04 -54.92 1 3 1 26 231.319 5
Hi High (pH 8-9.5) 2.25 6.52 -13.85 0 3 0 25 230.311 5

Activity (Go SEA)

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