UCSF

ZINC20130432

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 2.87 9.51 -29.2 1 3 1 25 281.464 2
Hi High (pH 8-9.5) 2.87 7.64 -3.65 0 3 0 24 280.456 2

Activity (Go SEA)

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