UCSF

ZINC20441481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 14 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) 1.55 4.2 -44.52 2 3 1 35 194.254 2
Hi High (pH 8-9.5) 1.55 2.87 -7.53 1 3 0 30 193.246 2

Activity (Go SEA)

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