UCSF

ZINC39957475

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 12 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) 1.77 5.75 -37.63 2 1 1 17 168.235 3
Hi High (pH 8-9.5) 1.77 4.73 -2.98 1 1 0 12 167.227 3

Activity (Go SEA)

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