UCSF

ZINC60701027

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 17 Yes

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) 3.73 8.26 -31.64 2 2 1 29 233.379 5
Hi High (pH 8-9.5) 3.73 7.99 -2.67 1 2 0 25 232.371 5

Activity (Go SEA)

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